ChemSpider 2D Image | 4-{[2-(Phosphonooxy)ethyl]carbamoyl}benzyl [(1R,6S)-6-(dimethylcarbamoyl)-2-cyclohexen-1-yl]carbamate | C20H28N3O8P

4-{[2-(Phosphonooxy)ethyl]carbamoyl}benzyl [(1R,6S)-6-(dimethylcarbamoyl)-2-cyclohexen-1-yl]carbamate

  • Molecular FormulaC20H28N3O8P
  • Average mass469.425 Da
  • Monoisotopic mass469.161407 Da
  • ChemSpider ID35034633

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(1R,6S)-6-(Diméthylcarbamoyl)-2-cyclohexén-1-yl]carbamate de 4-{[2-(phosphonooxy)éthyl]carbamoyl}benzyle [French] [ACD/IUPAC Name]
4-{[2-(Phosphonooxy)ethyl]carbamoyl}benzyl [(1R,6S)-6-(dimethylcarbamoyl)-2-cyclohexen-1-yl]carbamate [ACD/IUPAC Name]
4-{[2-(Phosphonooxy)ethyl]carbamoyl}benzyl [(1r,6s)-6-(Dimethylcarbamoyl)cyclohex-2-En-1-Yl]carbamate
4-{[2-(Phosphonooxy)ethyl]carbamoyl}benzyl-[(1R,6S)-6-(dimethylcarbamoyl)-2-cyclohexen-1-yl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1R,6S)-6-[(dimethylamino)carbonyl]-2-cyclohexen-1-yl]-, [4-[[[2-(phosphonooxy)ethyl]amino]carbonyl]phenyl]methyl ester [ACD/Index Name]
XDA

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.589
Molar Refractivity: 114.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: -0.83
ACD/LogD (pH 5.5): -4.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 164 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 64.7±5.0 dyne/cm
Molar Volume: 338.9±5.0 cm3

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