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(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal hydrate
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ChemBase ID:
130835
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Molecular Formular:
C6H14O7
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Molecular Mass:
198.17116
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Monoisotopic Mass:
198.07395279
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SMILES and InChIs
SMILES:
C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O.O
Canonical SMILES:
OC[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O.O
InChI:
InChI=1S/C6H12O6.H2O/c7-1-3(9)5(11)6(12)4(10)2-8;/h1,3-6,8-12H,2H2;1H2/t3-,4+,5+,6+;/m0./s1
InChIKey:
SPFMQWBKVUQXJV-BTVCFUMJSA-N
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Cite this record
CBID:130835 http://www.chembase.cn/molecule-130835.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal hydrate
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IUPAC Traditional name
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Synonyms
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Dextrose monohydrate
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D-(+)-Glucose monohydrate
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Dextrosum (Glucosum) monohydricum
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Dextrose monohydrate
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D-(+)-葡萄糖 一水合物
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一水右旋糖(葡萄糖)
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D-(+)-葡萄糖 一水合物
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右旋糖 一水合物
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右旋糖 一水合物
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CAS Number
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EC Number
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MDL Number
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Beilstein Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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11.800943
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H Acceptors
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6
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H Donor
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5
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LogD (pH = 5.5)
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-3.5683608
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LogD (pH = 7.4)
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-3.5683777
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Log P
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-3.5683606
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Molar Refractivity
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37.3456 cm3
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Polarizability
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15.251392 Å3
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Polar Surface Area
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118.22 Å2
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Rotatable Bonds
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5
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Physical Property
Safety Information
Product Information
Bioassay(PubChem)
Solubility
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H2O: soluble0.1 g/mL, clear
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Show
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H2O: soluble0.1 g/mL, clear, colorless
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H2O: soluble1 M, clear, colorless
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Optical Rotation
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[α]20/D +49±3°, 3 hr, c = 10% in H2O
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[α]20/D +52.5 to +53.3°, c = 10% in H2O (calc. on anhydrous subst.)
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Absorption Wavelength
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λ: 260 nm Amax: 0.03
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λ: 280 nm Amax: 0.03
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pH
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5-7 (25 °C, 1 M in H2O)
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MSDS Link
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German water hazard class
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3
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Personal Protective Equipment
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Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
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Purity
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≥98.0% (sum of enantiomers, HPLC)
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≥99.0%
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≥99.0% (sum of enantiomers, HPLC)
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≥99.5% (HPLC)
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Grade
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for biotechnological purposes
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for microbiology
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Ph Eur
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Suitability
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meets USP testing specifications
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Ignition Residue
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≤0.05% (as SO4)
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≤0.1% (as SO4)
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Impurities
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7-9.5% water (Karl Fischer)
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insoluble matter, passes filter test
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residual solvents, complies
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Cation Traces
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Al: ≤0.5 mg/kg
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Al: ≤5 mg/kg
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As: ≤0.1 mg/kg
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As: ≤1 mg/kg
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Ba: ≤5 mg/kg
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Ba:, in accordance
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Bi: ≤5 mg/kg
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Ca: ≤10 mg/kg
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Ca: ≤200 mg/kg
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Cd: ≤5 mg/kg
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Co: ≤5 mg/kg
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Cr: ≤5 mg/kg
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Cu: ≤5 mg/kg
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Fe: ≤5 mg/kg
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K: ≤50 mg/kg
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Li: ≤5 mg/kg
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Mg: ≤5 mg/kg
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Mn: ≤5 mg/kg
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Mo: ≤5 mg/kg
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Na: ≤50 mg/kg
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Ni: ≤5 mg/kg
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Pb: ≤0.5 mg/kg
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Pb: ≤5 mg/kg
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Sr: ≤5 mg/kg
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Zn: ≤5 mg/kg
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Antion Traces
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chloride (Cl-): ≤100 mg/kg
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chloride (Cl-): ≤50 mg/kg
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sulfate (SO42-): ≤200 mg/kg
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sulfate (SO42-): ≤50 mg/kg
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sulfite (SO32-): ≤10 mg/kg
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Quality
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meets analytical specification of Ph. Eur., BP, Ph Franç.
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λ
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1 M in H2O
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Pharmacopeia
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testing & handling conforms to Pharmacopeia
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Product Line
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BioUltra
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Empirical Formula (Hill Notation)
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C6H12O6 · H2O
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DETAILS
DETAILS
Sigma Aldrich
Sigma Aldrich -
49158
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Application D-(+)-Glucose is a common natural sugar involved in processes such as energy production, glycosylation, and formation of glycans that provide structure to cells. Glucose is involved in a detrimentatl process in cells called glycation. Glucose is used as a supplement for cell culture and in numerous cellular processes. |
PATENTS
PATENTS
PubChem Patent
Google Patent