(3R,4R,5R)-3,4-dihydroxy-5-(2H3)methyloxolan-2-one

• ChemBase ID: 165862
• Molecular Formular: C5H8O4
• Molecular Mass: 132.11462
• Monoisotopic Mass: 132.04225874
• SMILES: [C@H]1([C@H]([C@H](OC1=O)C)O)O
• Canonical SMILES: C[C@H]1OC(=O)[C@@H]([C@H]1O)O
• InChI: InChI=1S/C5H8O4/c1-2-3(6)4(7)5(8)9-2/h2-4,6-7H,1H3/t2-,3+,4-/m1/s1
• InChIKey: JYHWQRJRDKSSIF-FLRLBIABSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R,4R,5R)-3,4-dihydroxy-5-(^2H₃)methyloxolan-2-one
• IUPAC Traditional name: (3R,4R,5R)-3,4-dihydroxy-5-(^2H₃)methyloxolan-2-one
• Synonyms: 5-Deoxy-L-arabinonic Acid γ-Lactone-d3

Database IDs

• PubChem SID: 162259995
• PubChem CID: 71315429

CALCULATED PROPERTIES

• Acid pKa: 11.644123
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.0680286
• LogD (pH = 7.4): -1.068053
• Log P: -1.0680283
• Molar Refractivity: 27.2726 cm^3
• Polarizability: 11.39605 Å^3
• Polar Surface Area: 66.76 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Methanol
• Apperance: Off-white Solid