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

• ChemBase ID: 313003
• Molecular Formular: C6H10NaO6
• Molecular Mass: 201.12977
• Monoisotopic Mass: 201.03750732
• SMILES: [C@H]1(C(C(C(=O)O1)O)O)[C@H](CO)O.[Na]
• Canonical SMILES: OC[C@@H]([C@H]1OC(=O)C(C1O)O)O.[Na]
• InChI: InChI=1S/C6H10O6.Na/c7-1-2(8)5-3(9)4(10)6(11)12-5;/h2-5,7-10H,1H2;/t2-,3?,4?,5+;/m0./s1
• InChIKey: GDBSXTQFGFFDQI-SWHVJAHHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-one sodium hydride
• IUPAC Traditional name: (5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-one sodium hydride
• Synonyms: Sodium ascorbate

Database IDs

• CAS Number: 134-03-2

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

Pharmacology Properties

• Target: Others

Product Information

• Salt Data: Sodium Salt