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

• ChemBase ID: 1638
• Molecular Formular: C6H12O5
• Molecular Mass: 164.15648
• Monoisotopic Mass: 164.06847348
• SMILES: C[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O
• Canonical SMILES: O[C@H]1[C@H](C)O[C@@H]([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-/m0/s1
• InChIKey: SHZGCJCMOBCMKK-QYESYBIKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,3S,4R,5R,6S)-6-methyloxane-2,3,4,5-tetrol
• IUPAC Traditional name: 6-deoxyglucose
• Synonyms: Alpha-D-Fucose; 6-Deoxy-Alpha-D-Glucose; Fucose; Beta-D-Fucose; Rhamnose; 6-Deoxyglucose

Database IDs

• PubChem SID: 46507501; 160965095; 46506823
• PubChem CID: 6713579

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.30218
• H Acceptors: 5
• H Donor: 4
• LogD (pH = 5.5): -1.8856299
• LogD (pH = 7.4): -1.8856835
• Log P: -1.8856293
• Molar Refractivity: 34.3797 cm^3
• Polarizability: 14.43744 Å^3
• Polar Surface Area: 90.15 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: -2.39
• LOG S: 0.7
• Solubility (Water): 8.27e+02 g/l

DETAILS

DrugBank - DB03965

Drug information: experimental

DrugBank - DB01869

Drug information: experimental

DrugBank - DB04319

Drug information: experimental

DrugBank - DB03485

Drug information: experimental

DrugBank - DB03773

Drug information: experimental

DrugBank - DB04062

Drug information: experimental