ChemSpider 2D Image | L-Prolyl-4-iodo-L-phenylalanyl-N-[(2S,3R)-1-cyclohexyl-3-hydroxy-4-isopropoxy-4-oxo-2-butanyl]-S-methyl-L-cysteinamide | C31H47IN4O6S

L-Prolyl-4-iodo-L-phenylalanyl-N-[(2S,3R)-1-cyclohexyl-3-hydroxy-4-isopropoxy-4-oxo-2-butanyl]-S-methyl-L-cysteinamide

  • Molecular FormulaC31H47IN4O6S
  • Average mass730.698 Da
  • Monoisotopic mass730.226074 Da
  • ChemSpider ID392712

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

L-Cysteinamide, L-prolyl-4-iodo-L-phenylalanyl-N-[(1S,2R)-1-(cyclohexylmethyl)-2-hydroxy-3-(1-methylethoxy)-3-oxopropyl]-S-methyl- [ACD/Index Name]
L-Prolyl-4-iod-L-phenylalanyl-N-[(2S,3R)-1-cyclohexyl-3-hydroxy-4-isopropoxy-4-oxo-2-butanyl]-S-methyl-L-cysteinamid [German] [ACD/IUPAC Name]
L-Prolyl-4-iodo-L-phenylalanyl-N-[(2S,3R)-1-cyclohexyl-3-hydroxy-4-isopropoxy-4-oxo-2-butanyl]-S-methyl-L-cysteinamide [ACD/IUPAC Name]
L-Prolyl-4-iodo-L-phénylalanyl-N-[(2S,3R)-1-cyclohexyl-3-hydroxy-4-isopropoxy-4-oxo-2-butanyl]-S-méthyl-L-cystéinamide [French] [ACD/IUPAC Name]
p

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

Density: 1.4±0.1 g/cm3
Boiling Point: 927.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.2±3.0 kJ/mol
Flash Point: 514.4±34.3 °C
Index of Refraction: 1.575
Molar Refractivity: 176.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 4
ACD/LogP: 5.71
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 4.51
ACD/KOC (pH 5.5): 20.08
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 228.06
ACD/KOC (pH 7.4): 1015.00
Polar Surface Area: 171 Å2
Polarizability: 69.9±0.5 10-24cm3
Surface Tension: 51.6±3.0 dyne/cm
Molar Volume: 533.4±3.0 cm3

Click to predict properties on the Chemicalize site


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