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

• ChemBase ID: 132955
• Molecular Formular: C4H8O4
• Molecular Mass: 120.10392
• Monoisotopic Mass: 120.04225874
• SMILES: C1[C@@H]([C@H](C(O1)O)O)O
• 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?/m0/s1
• InChIKey: FMAORJIQYMIRHF-URORKIPUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R,4S)-oxolane-2,3,4-triol
• IUPAC Traditional name: (3R,4S)-oxolane-2,3,4-triol
• Synonyms: D-(-)-Threose

Database IDs

• CAS Number: 95-43-2
• EC Number: 202-418-0
• MDL Number: MFCD00043042
• Beilstein Number: 1721696
• PubChem SID: 24900449; 162227232
• PubChem CID: 20056706

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

PROPERTIES

Physical Property

• Apperance: syrup

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥60%