ChemSpider 2D Image | N-[3-(4-Azido-3-iodophenyl)propanoyl]-3-(2-pyridinyldisulfanyl)-L-alanine | C17H17IN5O3S2

N-[3-(4-Azido-3-iodophenyl)propanoyl]-3-(2-pyridinyldisulfanyl)-L-alanine

  • Molecular FormulaC17H17IN5O3S2
  • Average mass529.375 Da
  • Monoisotopic mass528.973938 Da
  • ChemSpider ID2338806

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Alanine, N-[3-(4-azido-3-iodophenyl)-1-oxopropyl]-3-(2-pyridinyldithio)- [ACD/Index Name]
N-[3-(4-Azido-3-iodophenyl)propanoyl]-3-(2-pyridinyldisulfanyl)-L-alanine [ACD/IUPAC Name]
N-[3-(4-Azido-3-iodophényl)propanoyl]-3-(2-pyridinyldisulfanyl)-L-alanine [French] [ACD/IUPAC Name]
N-[3-(4-Azido-3-iodphenyl)propanoyl]-3-(2-pyridinyldisulfanyl)-L-alanin [German] [ACD/IUPAC Name]
(2R)-2-[3-(4-AZIDO-3-IODOPHENYL)PROPANAMIDO]-3-(PYRIDIN-2-YLDISULFANYL)PROPANOIC ACID
117820-47-0 [RN]
ACTP
L-Alanine, N-(3-(4-azido-3-iodophenyl)-1-oxopropyl)-3-(2-pyridinyldithio)-
N-(3-Iodo-4-azidophenylpropionamido)-S-(2-thiopyridyl)cysteine

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.52
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 2.04
ACD/KOC (pH 5.5): 10.29
ACD/LogD (pH 7.4): 0.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 142 Å2
Polarizability:
Surface Tension:
Molar Volume:

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