ChemSpider 2D Image | Methyl N~5~-(diaminomethylene)ornithyl-1-[(2-nitrophenyl)sulfanyl]tryptophanate | C24H29N7O5S

Methyl N5-(diaminomethylene)ornithyl-1-[(2-nitrophenyl)sulfanyl]tryptophanate

  • Molecular FormulaC24H29N7O5S
  • Average mass527.596 Da
  • Monoisotopic mass527.195068 Da
  • ChemSpider ID58190422

More details:

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

Methyl N5-(diaminomethylene)ornithyl-1-[(2-nitrophenyl)sulfanyl]tryptophanate [ACD/IUPAC Name]
Methyl-N5-(diaminomethylen)ornithyl-1-[(2-nitrophenyl)sulfanyl]tryptophanat [German] [ACD/IUPAC Name]
N5-(Diaminométhylène)ornithyl-1-[(2-nitrophényl)sulfanyl]tryptophanate de méthyle [French] [ACD/IUPAC Name]
Tryptophan, N5-(diaminomethylene)ornithyl-1-[(2-nitrophenyl)thio]-, methyl ester [ACD/Index Name]
110800-95-8 [RN]
L-Tryptophan,N-L-arginyl-1-[(2-nitrophenyl)thio]-, methyl ester (9CI)

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: 1.682
Molar Refractivity: 137.7±0.5 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 3.44
ACD/LogD (pH 5.5): -0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.99
Polar Surface Area: 222 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 64.4±7.0 dyne/cm
Molar Volume: 363.4±7.0 cm3

Click to predict properties on the Chemicalize site


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