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

• ChemBase ID: 105551
• 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-/m1/s1
• InChIKey: YTBSYETUWUMLBZ-QWWZWVQMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,3R)-2,3,4-trihydroxybutanal
• IUPAC Traditional name: threose
• Synonyms: D-(-)-THREOSE; Threotetrose; Threose

Database IDs

• CAS Number: 95-43-2
• EC Number: 202-418-0
• PubChem SID: 162093890
• PubChem CID: 439665
• CHEBI ID: 28587
• Chemspider ID: 388736
• Wikipedia Title: Threose

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• 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: 25.4206 cm^3
• Polarizability: 10.220809 Å^3
• Polar Surface Area: 77.76 Å^2
• Rotatable Bonds: 3

PROPERTIES

Physical Property

• Solubility: Very soluble in water
• Apperance: Syrup

Safety Information

• Storage Condition: 2-8°C

DETAILS

MP Biomedicals - 02191213

Syrup