ChemSpider 2D Image | N-[(Benzyloxy)carbonyl]-L-valylglycyl-L-aspartic acid | C19H25N3O8

N-[(Benzyloxy)carbonyl]-L-valylglycyl-L-aspartic acid

  • Molecular FormulaC19H25N3O8
  • Average mass423.417 Da
  • Monoisotopic mass423.164154 Da
  • ChemSpider ID23161141

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Acide N-[(benzyloxy)carbonyl]-L-valylglycyl-L-aspartique [French] [ACD/IUPAC Name]
L-Aspartic acid, N-[(phenylmethoxy)carbonyl]-L-valylglycyl- [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-L-valylglycyl-L-asparaginsäure [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-valylglycyl-L-aspartic acid [ACD/IUPAC Name]
(S)-2-[2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyrylamino)-acetylamino]-succinic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL307573/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 741.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.4±3.0 kJ/mol
Flash Point: 402.1±32.9 °C
Index of Refraction: 1.556
Molar Refractivity: 102.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 1.93
ACD/LogD (pH 5.5): -2.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 171 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 57.3±3.0 dyne/cm
Molar Volume: 318.4±3.0 cm3

Click to predict properties on the Chemicalize site


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