ChemSpider 2D Image | N~5~-(Diaminomethylene)-L-ornithyl-N-iodo-alpha-propionyl-3-(2-pyridinyldisulfanyl)-L-tyrosine | C23H29IN6O5S2

N5-(Diaminomethylene)-L-ornithyl-N-iodo-α-propionyl-3-(2-pyridinyldisulfanyl)-L-tyrosine

  • Molecular FormulaC23H29IN6O5S2
  • Average mass660.548 Da
  • Monoisotopic mass660.068542 Da
  • ChemSpider ID116719
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

L-Tyrosine, N5-(diaminomethylene)-L-ornithyl-N-iodo-α-(1-oxopropyl)-3-(2-pyridinyldithio)- [ACD/Index Name]
N5-(Diaminomethylen)-L-ornithyl-N-iod-α-propionyl-3-(2-pyridinyldisulfanyl)-L-tyrosin [German] [ACD/IUPAC Name]
N5-(Diaminomethylene)-L-ornithyl-N-iodo-α-propionyl-3-(2-pyridinyldisulfanyl)-L-tyrosine [ACD/IUPAC Name]
N5-(Diaminométhylène)-L-ornithyl-N-iodo-α-propionyl-3-(2-pyridinyldisulfanyl)-L-tyrosine [French] [ACD/IUPAC Name]
138191-81-8 [RN]
3-(2-pyridyldithio)propionylarginylmonoiodotyrosine
3-(2-Pyridyldithio)propionyl-arg-I-tyr
3-(PYRIDIN-2-YLDITHIO)PROPIONYL-ARG-I-TYR
3-Ptpait

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 793.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.0±3.0 kJ/mol
Flash Point: 433.6±35.7 °C
Index of Refraction: 1.701
Molar Refractivity: 152.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 3.87
ACD/LogD (pH 5.5): -0.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.16
Polar Surface Area: 249 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 67.0±7.0 dyne/cm
Molar Volume: 393.3±7.0 cm3

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