ChemSpider 2D Image | Ethyl N-[{[(4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy}(phenoxy)phosphoryl]-D-alaninate | C18H27N2O9P

Ethyl N-[{[(4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy}(phenoxy)phosphoryl]-D-alaninate

  • Molecular FormulaC18H27N2O9P
  • Average mass446.389 Da
  • Monoisotopic mass446.145416 Da
  • ChemSpider ID25046536

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

D-Alanine, N-[[[(4R,5R)-5-[(hydroxyamino)carbonyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenoxyphosphinyl]-, ethyl ester [ACD/Index Name]
Ethyl N-[{[(4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy}(phenoxy)phosphoryl]-D-alaninate [ACD/IUPAC Name]
Ethyl-N-[{[(4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy}(phenoxy)phosphoryl]-D-alaninat [German] [ACD/IUPAC Name]
N-[{[(4R,5R)-5-(Hydroxycarbamoyl)-2,2-diméthyl-1,3-dioxolan-4-yl]méthoxy}(phénoxy)phosphoryl]-D-alaninate d'éthyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.515
Molar Refractivity: 104.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 1.09
ACD/LogD (pH 5.5): 0.82
ACD/BCF (pH 5.5): 2.47
ACD/KOC (pH 5.5): 66.45
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 2.33
ACD/KOC (pH 7.4): 62.78
Polar Surface Area: 151 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 345.5±3.0 cm3

Click to predict properties on the Chemicalize site


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