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

• ChemBase ID: 134146
• Molecular Formular: C4H8O4
• Molecular Mass: 120.10392
• Monoisotopic Mass: 120.04225874
• SMILES: C([C@@H]([C@@H](C=O)O)O)O
• 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-DMTCNVIQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,3S)-2,3,4-trihydroxybutanal
• IUPAC Traditional name: L-erythrose
• Synonyms: L(+)-Erythrose

Database IDs

• CAS Number: 533-49-3
• EC Number: 208-567-8
• MDL Number: MFCD00064377
• Beilstein Number: 1721697
• PubChem SID: 162228423; 24894372
• PubChem CID: 5460674

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

PROPERTIES

Physical Property

• Apperance: light yellow syrup
• Flash Point: >113 °C; >235.4 °F

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: ~40%

DETAILS

Sigma Aldrich - E0758

Application
L(+)-Erythrose is an aldotetrose rare sugar that may be used in glycation studies.