(2R,3S)-2,3,4-trihydroxybutanal

• ChemBase ID: 105550
• Molecular Formular: C4H8O4
• Molecular Mass: 120.10392
• Monoisotopic Mass: 120.04225874
• SMILES: O=C[C@H](O)[C@@H](O)CO
• Canonical SMILES: OC[C@@H]([C@H](C=O)O)O
• InChI: InChI=1S/C4H8O4/c5-1-3(7)4(8)2-6/h1,3-4,6-8H,2H2/t3-,4-/m0/s1
• InChIKey: YTBSYETUWUMLBZ-IMJSIDKUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,3S)-2,3,4-trihydroxybutanal
• IUPAC Traditional name: L-threose
• Synonyms: L-(+)-THREOSE

Database IDs

• CAS Number: 95-44-3
• EC Number: 202-419-6
• PubChem SID: 162092146
• PubChem CID: 5460672

CALCULATED PROPERTIES

• Acid pKa: 12.187732
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -2.3076909
• LogD (pH = 7.4): -2.3076978
• Log P: -2.3076906
• Molar Refractivity: 25.420599 cm^3
• Polarizability: 10.220809 Å^3
• Polar Surface Area: 77.76 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: Room Temperature (15-30°C)

DETAILS

MP Biomedicals - 02191211

Syrup