ChemSpider 2D Image | L-Valyl-D-valyl-L-valine | C15H29N3O4

L-Valyl-D-valyl-L-valine

  • Molecular FormulaC15H29N3O4
  • Average mass315.409 Da
  • Monoisotopic mass315.215820 Da
  • ChemSpider ID62577384

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S)-2-({N-[(2S)-2-Ammonio-3-methylbutanoyl]-D-valyl}amino)-3-methylbutanoat [German] [ACD/IUPAC Name]
(2S)-2-({N-[(2S)-2-Ammonio-3-methylbutanoyl]-D-valyl}amino)-3-methylbutanoate [ACD/IUPAC Name]
(2S)-2-({N-[(2S)-2-Ammonio-3-méthylbutanoyl]-D-valyl}amino)-3-méthylbutanoate [French] [ACD/IUPAC Name]
L-Valine, L-valyl-D-valyl- [ACD/Index Name]
L-Valine, N-[(2S)-2-ammonio-3-methyl-1-oxobutyl]-D-valyl-, inner salt [ACD/Index Name]
L-Valyl-D-valyl-L-valin [German] [ACD/IUPAC Name]
L-Valyl-D-valyl-L-valine [ACD/IUPAC Name]
L-Valyl-D-valyl-L-valine [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 565.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 92.9±6.0 kJ/mol
Flash Point: 296.1±28.7 °C
Index of Refraction: 1.491
Molar Refractivity: 83.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.64
ACD/LogD (pH 5.5): -1.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 122 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 41.0±3.0 dyne/cm
Molar Volume: 288.6±3.0 cm3

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