(3R,4R)-oxolane-2,3,4-triol

• ChemBase ID: 107437
• Molecular Formular: C4H8O4
• Molecular Mass: 120.10392
• Monoisotopic Mass: 120.04225874
• SMILES: O[C@@H]1COC(O)[C@@H]1O
• Canonical SMILES: O[C@@H]1[C@H](O)COC1O
• InChI: InChI=1S/C4H8O4/c5-2-1-8-4(7)3(2)6/h2-7H,1H2/t2-,3-,4?/m1/s1
• InChIKey: FMAORJIQYMIRHF-HERZVMAMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R,4R)-oxolane-2,3,4-triol
• IUPAC Traditional name: erythrose (substance)
• Synonyms: D-ERYTHROSE

Database IDs

• CAS Number: 583-50-6
• PubChem SID: 162094562
• PubChem CID: 439574

CALCULATED PROPERTIES

• Acid pKa: 11.32051
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.67187
• LogD (pH = 7.4): -1.6719214
• Log P: -1.6718693
• Molar Refractivity: 23.9984 cm^3
• Polarizability: 10.125124 Å^3
• Polar Surface Area: 69.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05203731

MP Biomedicals Rare Chemical collection