ChemSpider 2D Image | HONH-BENZYLMALONYL-L-ALANYLGLYCINE-P-NITROANILIDE | C21H23N5O7

HONH-BENZYLMALONYL-L-ALANYLGLYCINE-P-NITROANILIDE

  • Molecular FormulaC21H23N5O7
  • Average mass457.437 Da
  • Monoisotopic mass457.159760 Da
  • ChemSpider ID26330350

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Glycinamide, N-[(2S)-3-(hydroxyamino)-1,3-dioxo-2-(phenylmethyl)propyl]-L-alanyl-N-(4-nitrophenyl)- [ACD/Index Name]
HONH-BENZYLMALONYL-L-ALANYLGLYCINE-P-NITROANILIDE
N-[(2S)-2-Benzyl-3-(hydroxyamino)-3-oxopropanoyl]-L-alanyl-N-(4-nitrophenyl)glycinamid [German] [ACD/IUPAC Name]
N-[(2S)-2-Benzyl-3-(hydroxyamino)-3-oxopropanoyl]-L-alanyl-N-(4-nitrophenyl)glycinamide [ACD/IUPAC Name]
N-[(2S)-2-Benzyl-3-(hydroxyamino)-3-oxopropanoyl]-L-alanyl-N-(4-nitrophényl)glycinamide [French] [ACD/IUPAC Name]
(2S)-2-benzyl-N-hydroxy-N'-[(1S)-1-({[(4-nitrophenyl)carbamoyl]methyl}carbamoyl)ethyl]propanediamide

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: 1.631
Molar Refractivity: 116.3±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 1.53
ACD/LogD (pH 5.5): 0.84
ACD/BCF (pH 5.5): 2.56
ACD/KOC (pH 5.5): 68.11
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 2.38
ACD/KOC (pH 7.4): 63.36
Polar Surface Area: 182 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 65.0±3.0 dyne/cm
Molar Volume: 326.7±3.0 cm3

Click to predict properties on the Chemicalize site


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