ChemSpider 2D Image | 2,3,4-Trihydroxy-3-(hydroxymethyl)butanoic acid | C5H10O6

2,3,4-Trihydroxy-3-(hydroxymethyl)butanoic acid

  • Molecular FormulaC5H10O6
  • Average mass166.129 Da
  • Monoisotopic mass166.047745 Da
  • ChemSpider ID60608220

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2,3,4-Trihydroxy-3-(hydroxymethyl)butanoic acid [ACD/IUPAC Name]
2,3,4-Trihydroxy-3-(hydroxymethyl)butansäure [German] [ACD/IUPAC Name]
Acide 2,3,4-trihydroxy-3-(hydroxyméthyl)butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2,3,4-trihydroxy-3-(hydroxymethyl)- [ACD/Index Name]
639-98-5 [RN]
C22219
D-Apionate
MFCD20642786

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 584.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.2±6.0 kJ/mol
Flash Point: 321.0±26.6 °C
Index of Refraction: 1.599
Molar Refractivity: 32.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.81
ACD/LogD (pH 5.5): -4.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 118 Å2
Polarizability: 13.0±0.5 10-24cm3
Surface Tension: 111.3±3.0 dyne/cm
Molar Volume: 96.1±3.0 cm3

Click to predict properties on the Chemicalize site


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