Found 2 results

Search term: XJYXOMKIPWYNND (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2R)-3-Formyl-2,4-dihydroxy-3-methylbutanoic acid | C6H10O5

(2R)-3-Formyl-2,4-dihydroxy-3-methylbutanoic acid

  • Molecular FormulaC6H10O5
  • Average mass162.141 Da
  • Monoisotopic mass162.052826 Da
  • ChemSpider ID65999709

  • 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-methylbutanoic acid [ACD/IUPAC Name]
(2R)-3-Formyl-2,4-dihydroxy-3-methylbutansäure [German] [ACD/IUPAC Name]
Acide (2R)-3-formyl-2,4-dihydroxy-3-méthylbutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 3-formyl-2,4-dihydroxy-3-methyl-, (2R)- [ACD/Index Name]
ketopantoic acid

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

Density: 1.4±0.1 g/cm3
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: 1.514
Molar Refractivity: 34.6±0.3 cm3
#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: 95 Å2
Polarizability: 13.7±0.5 10-24cm3
Surface Tension: 65.9±3.0 dyne/cm
Molar Volume: 115.0±3.0 cm3

Click to predict properties on the Chemicalize site


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