ChemSpider 2D Image | N-(3-Methylbutanoyl)-L-Valyl-N-{(1r)-1-[(R)-(2-Ethoxy-2-Oxoethyl)(Hydroxy)phosphoryl]-3-Methylbutyl}-L-Valinamide | C24H46N3O7P

N-(3-Methylbutanoyl)-L-Valyl-N-{(1r)-1-[(R)-(2-Ethoxy-2-Oxoethyl)(Hydroxy)phosphoryl]-3-Methylbutyl}-L-Valinamide

  • Molecular FormulaC24H46N3O7P
  • Average mass519.612 Da
  • Monoisotopic mass519.307312 Da
  • ChemSpider ID394856

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Valinamide, N-(3-methyl-1-oxobutyl)-L-valyl-N-[(1R)-1-[(S)-[(1S)-2-ethoxy-2-oxoethyl]hydroxyphosphinyl]-3-methylbutyl]- [ACD/Index Name]
N-(3-Methylbutanoyl)-L-Valyl-N-{(1r)-1-[(R)-(2-Ethoxy-2-Oxoethyl)(Hydroxy)phosphoryl]-3-Methylbutyl}-L-Valinamide
N-(3-Methylbutanoyl)-L-valyl-N-{(1R)-1-[(S)-(2-ethoxy-2-oxoethyl)(hydroxy)phosphoryl]-3-methylbutyl}-L-valinamid [German] [ACD/IUPAC Name]
N-(3-Methylbutanoyl)-L-valyl-N-{(1R)-1-[(S)-(2-ethoxy-2-oxoethyl)(hydroxy)phosphoryl]-3-methylbutyl}-L-valinamide [ACD/IUPAC Name]
N-(3-Méthylbutanoyl)-L-valyl-N-{(1R)-1-[(S)-(2-éthoxy-2-oxoéthyl)(hydroxy)phosphoryl]-3-méthylbutyl}-L-valinamide [French] [ACD/IUPAC Name]
IVA-VAL-VAL-PTA-OET
IVV

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

Density: 1.1±0.1 g/cm3
Boiling Point: 794.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 125.6±6.0 kJ/mol
Flash Point: 434.3±32.9 °C
Index of Refraction: 1.482
Molar Refractivity: 134.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 4.47
ACD/LogD (pH 5.5): -1.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 161 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 470.3±3.0 cm3

Click to predict properties on the Chemicalize site


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