(2S,3S,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol

• ChemBase ID: 1703
• Molecular Formular: C5H10O5
• Molecular Mass: 150.1299
• Monoisotopic Mass: 150.05282342
• SMILES: OC[C@H]1O[C@H](O)[C@@H](O)[C@@H]1O
• Canonical SMILES: OC[C@H]1O[C@@H]([C@H]([C@@H]1O)O)O
• InChI: InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4+,5+/m1/s1
• InChIKey: HMFHBZSHGGEWLO-MBMOQRBOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,3S,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol
• IUPAC Traditional name: α-l-arabinofuranose
• Synonyms: Ribose; Alpha-L-Arabinofuranose

Database IDs

• CAS Number: 50-69-1
• PubChem SID: 46504941; 160965160
• PubChem CID: 9996708

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.305696
• H Acceptors: 5
• H Donor: 4
• LogD (pH = 5.5): -2.3022048
• LogD (pH = 7.4): -2.3022583
• Log P: -2.3022044
• Molar Refractivity: 29.9609 cm^3
• Polarizability: 12.6405 Å^3
• Polar Surface Area: 90.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: -2.65
• LOG S: 0.85
• Solubility (Water): 1.07e+03 g/l

PROPERTIES

Physical Property

• Hydrophobicity(logP): -2.32 [HANSCH,C ET AL. (1995)]

DETAILS

DrugBank - DB01936

• Drug Groups: experimental
• External Links: Wikipedia

DrugBank - DB02769

Drug information: experimental