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

• ChemBase ID: 102432
• 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-IUYQGCFVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,3R)-2,3,4-trihydroxybutanal
• IUPAC Traditional name: erythrose
• Synonyms: D-(-)-ERYTHROSE; D-(-)-Erythrose; Erythrose; D-Erythrose, syrup; D-赤藓糖, 糖浆

Database IDs

• CAS Number: 583-50-6
• EC Number: 209-505-2
• MDL Number: MFCD00006970
• Beilstein Number: 1721698
• Merck Index: 143690
• PubChem SID: 24894651; 162089598
• PubChem CID: 94176
• CHEBI ID: 27904
• Chemspider ID: 84990
• Wikipedia Title: Erythrose

CALCULATED PROPERTIES

• Acid pKa: 12.445905
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -2.3076906
• LogD (pH = 7.4): -2.3076947
• 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

• Solubility: Very soluble in water
• Apperance: light yellow syrup; Syrup
• Refractive Index: 1.4980
• Optical Rotation: -33 (c=2 in water, 72H)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Hygroscopic
• German water hazard class: 3
• TSCA Listed: 否
• NFPA704:
  

  1

  1

  0
• Personal Protective Equipment: Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥75% (TLC); ca 70% w/v, >75% dry wt. basis
• Impurities: ~30% water
• Empirical Formula (Hill Notation): C4H8O4

DETAILS

MP Biomedicals - 02101653

Purity: 60-80%
Light yellow syrup

Sigma Aldrich - E7625

Application
D-(-)-Erythrose is the D enantiomer of the aldose aldehyde Erythrose. D-Erythrose is used to study the mechanisms of organic microspherule formation and Maillard reactions.