(2R,3S)-butane-1,2,3,4-tetrol

• ChemBase ID: 313032
• Molecular Formular: C4H10O4
• Molecular Mass: 122.1198
• Monoisotopic Mass: 122.0579088
• SMILES: [C@H]([C@H](CO)O)(CO)O
• Canonical SMILES: OC[C@H]([C@H](CO)O)O
• InChI: InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4+
• InChIKey: UNXHWFMMPAWVPI-ZXZARUISSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,3S)-butane-1,2,3,4-tetrol
• IUPAC Traditional name: erythritol
• Synonyms: Erythritol

Database IDs

• CAS Number: 149-32-6

CALCULATED PROPERTIES

• Acid pKa: 13.044993
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -2.469349
• LogD (pH = 7.4): -2.4693499
• Log P: -2.469349
• Molar Refractivity: 26.4786 cm^3
• Polarizability: 10.746415 Å^3
• Polar Surface Area: 80.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Target: Others

Product Information

• Salt Data: Free Base