(3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-one

• ChemBase ID: 107180
• Molecular Formular: C6H10O6
• Molecular Mass: 178.14
• Monoisotopic Mass: 178.04773804
• SMILES: [C@@H]1([C@@H]([C@H](C(=O)O1)O)O)[C@@H](CO)O
• Canonical SMILES: OC[C@H]([C@@H]1OC(=O)[C@@H]([C@H]1O)O)O
• InChI: InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3-,4-,5+/m1/s1
• InChIKey: SXZYCXMUPBBULW-AIHAYLRMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-one
• IUPAC Traditional name: D-galactono-1,4-lactone
• Synonyms: D-GALACTONO-γ-LACTONE; D-Galactonic acid 1,4-lactone

Database IDs

• CAS Number: 2782-07-2
• MDL Number: MFCD00065019
• PubChem SID: 162094851
• PubChem CID: 97165

CALCULATED PROPERTIES

• Acid pKa: 11.62354
• H Acceptors: 5
• H Donor: 4
• LogD (pH = 5.5): -2.7452736
• LogD (pH = 7.4): -2.745299
• Log P: -2.745273
• Molar Refractivity: 34.7788 cm^3
• Polarizability: 14.633189 Å^3
• Polar Surface Area: 107.22 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%

DETAILS

MP Biomedicals - 05202847

MP Biomedicals Rare Chemical collection