(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

• ChemBase ID: 127575
• Molecular Formular: C6H12O6
• Molecular Mass: 180.15588
• Monoisotopic Mass: 180.0633881
• SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
• Canonical SMILES: OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@@H]1O)O)O
• InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
• InChIKey: WQZGKKKJIJFFOK-DVKNGEFBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
• IUPAC Systematic name: (2R,3S,4R,5R)-2,3,4,5,6-Pentahydroxyhexanal
• IUPAC Traditional name: α-glucose
• Synonyms: D-(+)-Glucose, anhydrous; D-(+)-Glucose; Glucose solution; alpha-D-Glucose; α-D-Glucose; Dextrose; Dextrin from corn; Blood sugar; Dextrose; Corn sugar; D-Glucose; Grape sugar; Glucose; Dextrin from potato starch; D-(+)-Glucose solution; D-(+)-Glucose; Dextrosum (Glucosum) anhydricum; D-(+)-Glucose solution; Glucose stock solution; D-(+)-葡萄糖, 无水的; α-D-葡萄糖; D-(+)-葡萄糖; 右旋糖; 糊精 来源于玉米; 糊精 来源于马铃薯淀粉; D-(+)-葡萄糖 溶液; 右旋糖; D-(+)-葡萄糖; 无水右旋糖（葡萄糖）

Database IDs

• CAS Number: 9004-53-9; 492-62-6; 50-99-7
• EC Number: 231-791-2; 232-675-4; 207-757-8; 200-075-1
• MDL Number: MFCD00063774; MFCD00081554
• Beilstein Number: 1281608; 1724615; 1281604
• Merck Index: 144459
• PubChem SID: 162221894; 24858939; 24895346; 24893670; 24895335; 24893904; 24894185; 24895351; 24895286; 24895209; 24850031; 24895314; 24895199; 24872672; 24895228; 24895248; 24893590; 24858935; 24895121; 24893634; 24894295; 24872363; 24895311; 24849781; 24870804
• PubChem CID: 79025; 5793
• CHEBI ID: 4167
• ATC CODE: V06DC01; B05CX01; V04CA02
• CHEMBL: 1222250
• Chemspider ID: 5589
• Gmelin ID: 83256
• KEGG ID: C00031
• MeSH Name: Glucose
• Unique Ingredient Identifier: 5SL0G7R0OK
• Wikipedia Title: Glucose

CALCULATED PROPERTIES

• Acid pKa: 11.298101
• H Acceptors: 6
• H Donor: 5
• LogD (pH = 5.5): -2.93254
• LogD (pH = 7.4): -2.932594
• Log P: -2.9325392
• Molar Refractivity: 35.9234 cm^3
• Polarizability: 15.155883 Å^3
• Polar Surface Area: 110.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

• Solubility: 91 g/100 mL in water; H2O: soluble0.1 g/mL, clear, colorless; H2O: soluble0.1 g/mL, clear, yellow to very deep yellow (hot); H2O: soluble0.13 g/mL; H2O: soluble1 M at 20 °C, clear, colorless; H2O: soluble1 M, clear, colorless
• Apperance: off-white to yellow powder; powder; solution; White powder; white powder; yellow powder
• Melting Point: 147-153°C; 150-152 °C(lit.); 153-156 °C(lit.); α-D-glucose: 146 °C; β-D-glucose: 150 °C
• Density: 1.54 g/cm^3
• Refractive Index: n20/D 1.362
• Optical Rotation: [α]20/D +52.5 to +53.3°, c = 10% in H2O (calc. on anhydrous subst.); [α]20/D +52°, c = 10 in H2O; [α]20/D +53±2°, 3 hr, c = 10 in H2O(lit.); [α]20/D +53±2°, 3 hr, c = 10% in H2O; [α]20/D +53±3°, 3 hr, c = 10% in H2O; [α]25/D +52.5 to +53.0°(lit.); +53 (c=10 in water, 3h)
• Absorption Wavelength: A1M/260, H2O ≤0.02; A1M/280, H2O ≤0.03; λ: 260 nm Amax: 0.02; λ: 260 nm Amax: 0.04; λ: 280 nm Amax: 0.03; λ: 280 nm Amax: 0.04
• Std enthalpy of combustion: -2805 kJ/mol
• Std enthalpy of formation: -1271 kJ/mol
• Std molar entropy: 209.2 J K^-1 mol^-1
• pH: 5.0-7.0 (25 °C, 1 M in H2O); 6.0-8.0 (25 °C)

• RTECS: HH9450000; LZ6600000
• German water hazard class: 1; 3; nwg
• TSCA Listed: 是
• EU Index: not listed
• NFPA704:
  

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• Personal Protective Equipment: Eyeshields, Gloves; Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US); Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

• Gene Information: human ... PYGM(5837)

• Purity: ≥98.0%; ≥98.0% (sum of enantiomers, HPLC); ≥99% (GC); ≥99.0% (sum of enantiomers, HPLC); ≥99.5%; ≥99.5% (GC); ≥99.5% (sum of enantiomers, HPLC); 96%; 99%
• Concentration: ~20% in H2O; 1 mg/mL in 0.1% benzoic acid; 100 g/L in H2O; 1000 mg/dL; 45% in H2O
• Grade: ACS reagent; analytical standard; anhydrous; commercial grade; CP; for biotechnological purposes; for microbiology; for molecular biology; Hybri-Max™; JIS special grade; Ph Eur; SAJ first grade
• Packaging: ampule of 500 mg
• Suitability: complies for appearance of solution; meets EP, BP, JP, USP testing specifications; plant cell culture tested; suitable for cell culture; suitable for component for culture media; suitable for hybridoma; suitable for insect cell culture; suitable for mouse embryo; suitable for plant cell culture
• Ignition Residue: ≤0.02%; ≤0.1% (as SO4)
• Impurities: ≤0.001% sulfite (SO2); ≤0.002 meq/g Titratable acid; ≤0.005% Insoluble matter; ≤1% water (Karl Fischer); ≤5% Reducing sugar; acidity or alkalinity, complies; dextrine, complies; DNases, none detected; endotoxin, tested; foreign sugar, complies; Insoluble matter, passes filter test; insoluble matter, passes filter test; phosphatases, none detected; proteases, none detected; residual solvents, complies; RNases, none detected; soluble starch, complies; Starch, passes test
• Cation Traces: Al: ≤0.0005%; Al: ≤1 mg/kg; Al: ≤5 mg/kg; As: ≤0.0001%; As: ≤0.1 mg/kg; As: ≤1 mg/kg; Ba: ≤0.0005%; Ba: ≤1 mg/kg; Ba: ≤5 mg/kg; Bi: ≤0.0005%; Bi: ≤1 mg/kg; Bi: ≤5 mg/kg; Ca: ≤0.001%; Ca: ≤10 mg/kg; Ca: ≤200 mg/kg; Ca: ≤5 mg/kg; Cd: ≤0.0005%; Cd: ≤1 mg/kg; Cd: ≤5 mg/kg; Co: ≤0.0005%; Co: ≤1 mg/kg; Co: ≤5 mg/kg; Cr: ≤0.0005%; Cr: ≤1 mg/kg; Cr: ≤5 mg/kg; Cu: ≤0.0005%; Cu: ≤1 mg/kg; Cu: ≤5 mg/kg; Fe: ≤0.0005%