ChemSpider 2D Image | N-Acetyl-L-alpha-aspartyl-D-alanyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]-L-ornithine | C17H29N7O8

N-Acetyl-L-α-aspartyl-D-alanyl-N5-[N-(methylcarbamoyl)carbamimidoyl]-L-ornithine

  • Molecular FormulaC17H29N7O8
  • Average mass459.454 Da
  • Monoisotopic mass459.207764 Da
  • ChemSpider ID24705314
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

L-Ornithine, N-acetyl-L-α-aspartyl-D-alanyl-N5-[imino[[(methylamino)carbonyl]amino]methyl]- [ACD/Index Name]
N-Acetyl-L-α-asparagyl-D-alanyl-N5-[N-(methylcarbamoyl)carbamimidoyl]-L-ornithin [German] [ACD/IUPAC Name]
N-Acetyl-L-α-aspartyl-D-alanyl-N5-[N-(methylcarbamoyl)carbamimidoyl]-L-ornithine [ACD/IUPAC Name]
N-Acétyl-L-α-aspartyl-D-alanyl-N5-[N-(méthylcarbamoyl)carbamimidoyl]-L-ornithine [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL492714/

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.618
Molar Refractivity: 107.4±0.5 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: -2.38
ACD/LogD (pH 5.5): -5.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 239 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 61.6±7.0 dyne/cm
Molar Volume: 306.7±7.0 cm3

Click to predict properties on the Chemicalize site






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