ChemSpider 2D Image | ketopantoate | C6H9O5

ketopantoate

  • Molecular FormulaC6H9O5
  • Average mass161.133 Da
  • Monoisotopic mass161.045547 Da
  • ChemSpider ID24774785

  • Charge - Charge

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2R)-3-Formyl-2,4-dihydroxy-3-methylbutanoat [German] [ACD/IUPAC Name]
(2R)-3-Formyl-2,4-dihydroxy-3-methylbutanoate [ACD/IUPAC Name]
(2R)-3-Formyl-2,4-dihydroxy-3-méthylbutanoate [French] [ACD/IUPAC Name]
Butanoic acid, 3-formyl-2,4-dihydroxy-3-methyl-, ion(1-), (2R)- [ACD/Index Name]
ketopantoate

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

Density:
Boiling Point: 426.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.7±6.0 kJ/mol
Flash Point: 226.1±25.2 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.41
ACD/LogD (pH 5.5): -3.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 98 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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