ChemSpider 2D Image | Methyl N-[(3S)-3,7-diamino-2-hydroxyheptanoyl]-1-[(2-nitrophenyl)sulfanyl]tryptophanate | C25H31N5O6S

Methyl N-[(3S)-3,7-diamino-2-hydroxyheptanoyl]-1-[(2-nitrophenyl)sulfanyl]tryptophanate

  • Molecular FormulaC25H31N5O6S
  • Average mass529.609 Da
  • Monoisotopic mass529.199524 Da
  • ChemSpider ID68024874

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

Methyl N-[(3S)-3,7-diamino-2-hydroxyheptanoyl]-1-[(2-nitrophenyl)sulfanyl]tryptophanate [ACD/IUPAC Name]
Methyl-N-[(3S)-3,7-diamino-2-hydroxyheptanoyl]-1-[(2-nitrophenyl)sulfanyl]tryptophanat [German] [ACD/IUPAC Name]
N-[(3S)-3,7-Diamino-2-hydroxyheptanoyl]-1-[(2-nitrophényl)sulfanyl]tryptophanate de méthyle [French] [ACD/IUPAC Name]
Tryptophan, N-[(3S)-3,7-diamino-2-hydroxy-1-oxoheptyl]-1-[(2-nitrophenyl)thio]-, methyl ester [ACD/Index Name]

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: 1.658
Molar Refractivity: 138.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 4.18
ACD/LogD (pH 5.5): -1.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 204 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 60.6±7.0 dyne/cm
Molar Volume: 375.3±7.0 cm3

Click to predict properties on the Chemicalize site


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