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(3R,4S,5S,6R)-6-methyloxane-2,3,4,5-tetrol
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ChemBase ID:
132497
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Molecular Formular:
C6H12O5
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Molecular Mass:
164.15648
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Monoisotopic Mass:
164.06847348
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SMILES and InChIs
SMILES:
C[C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O
Canonical SMILES:
O[C@@H]1[C@@H](C)OC([C@@H]([C@H]1O)O)O
InChI:
InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5-,6?/m1/s1
InChIKey:
SHZGCJCMOBCMKK-GASJEMHNSA-N
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Cite this record
CBID:132497 http://www.chembase.cn/molecule-132497.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(3R,4S,5S,6R)-6-methyloxane-2,3,4,5-tetrol
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IUPAC Traditional name
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Synonyms
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D-Isorhamnose
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Epifucose
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Quinovose
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6-Deoxy-D-glucose
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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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11.30218
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H Acceptors
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5
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H Donor
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4
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LogD (pH = 5.5)
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-1.8856299
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LogD (pH = 7.4)
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-1.8856835
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Log P
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-1.8856293
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Molar Refractivity
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34.3797 cm3
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Polarizability
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14.43744 Å3
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Polar Surface Area
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90.15 Å2
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Rotatable Bonds
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0
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Lipinski's Rule of Five
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true
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DETAILS
DETAILS
Sigma Aldrich
Sigma Aldrich -
D9761
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Analysis Note Identity: Consistent with structure by IR or H-NMR Application 6-deoxy-D-glucose is used to study the role of the carbon 6 hydroxyl group in the biological functions of glucose. Biochem/physiol Actions A structral homolog of D-glucoose that is lacking a hydroxyl group at carbon 6 position. |
Sigma Aldrich -
31065
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Other Notes Mechanism of glucose-mediated cAMP increase in yeast1 |
PATENTS
PATENTS
PubChem Patent
Google Patent