ChemSpider 2D Image | [N-(3-DIBENZYLCARBAMOYL-OXIRANECARBONYL)-HYDRAZINO]-ACETIC ACID | C20H23N3O5

[N-(3-DIBENZYLCARBAMOYL-OXIRANECARBONYL)-HYDRAZINO]-ACETIC ACID

  • Molecular FormulaC20H23N3O5
  • Average mass385.414 Da
  • Monoisotopic mass385.163757 Da
  • ChemSpider ID25058228

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[N-(3-DIBENZYLCARBAMOYL-OXIRANECARBONYL)-HYDRAZINO]-ACETIC ACID
{1-[(3S)-4-(Dibenzylamino)-3-hydroxy-4-oxobutanoyl]hydrazino}acetic acid [ACD/IUPAC Name]
{1-[(3S)-4-(Dibenzylamino)-3-hydroxy-4-oxobutanoyl]hydrazino}essigsäure [German] [ACD/IUPAC Name]
Acide {1-[(3S)-4-(dibenzylamino)-3-hydroxy-4-oxobutanoyl]hydrazino}acétique [French] [ACD/IUPAC Name]
Butanoic acid, 4-[bis(phenylmethyl)amino]-3-hydroxy-4-oxo-, 1-[1-(carboxymethyl)hydrazide], (3S)- [ACD/Index Name]
[(3S)-N-amino-3-(dibenzylcarbamoyl)-3-hydroxypropanamido]acetic acid
2-[(3S)-N-amino-3-(dibenzylcarbamoyl)-3-hydroxypropanamido]acetic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 661.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.3±3.0 kJ/mol
Flash Point: 353.9±34.3 °C
Index of Refraction: 1.631
Molar Refractivity: 102.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.35
ACD/LogD (pH 5.5): -1.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 124 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 67.1±3.0 dyne/cm
Molar Volume: 286.9±3.0 cm3

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