ChemSpider 2D Image | N~2~-{[3-(Benzyloxy)phenyl]carbamoyl}-N-[(1R)-1-(dihydroxyboryl)-3-methylbutyl]glycinamide | C21H28BN3O5

N2-{[3-(Benzyloxy)phenyl]carbamoyl}-N-[(1R)-1-(dihydroxyboryl)-3-methylbutyl]glycinamide

  • Molecular FormulaC21H28BN3O5
  • Average mass413.275 Da
  • Monoisotopic mass413.212189 Da
  • ChemSpider ID76786484

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Boronic acid, B-[(1R)-3-methyl-1-[[2-[[[[3-(phenylmethoxy)phenyl]amino]carbonyl]amino]acetyl]amino]butyl]- [ACD/Index Name]
N2-{[3-(Benzyloxy)phenyl]carbamoyl}-N-[(1R)-1-(dihydroxyboryl)-3-methylbutyl]glycinamid [German] [ACD/IUPAC Name]
N2-{[3-(Benzyloxy)phenyl]carbamoyl}-N-[(1R)-1-(dihydroxyboryl)-3-methylbutyl]glycinamide [ACD/IUPAC Name]
N2-{[3-(Benzyloxy)phényl]carbamoyl}-N-[(1R)-1-(dihydroxyboryl)-3-méthylbutyl]glycinamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.582
Molar Refractivity: 113.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 70.96
ACD/KOC (pH 5.5): 735.49
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 70.67
ACD/KOC (pH 7.4): 732.42
Polar Surface Area: 120 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 338.7±3.0 cm3

Click to predict properties on the Chemicalize site


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