ChemSpider 2D Image | 3-[Bis(2-chloroethyl)amino]-L-phenylalanyl-4-fluoro-N-L-prolyl-L-phenylalanine | C27H33Cl2FN4O4

3-[Bis(2-chloroethyl)amino]-L-phenylalanyl-4-fluoro-N-L-prolyl-L-phenylalanine

  • Molecular FormulaC27H33Cl2FN4O4
  • Average mass567.480 Da
  • Monoisotopic mass566.186279 Da
  • ChemSpider ID142248

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

3-[Bis(2-chlorethyl)amino]-L-phenylalanyl-4-fluor-N-L-prolyl-L-phenylalanin [German] [ACD/IUPAC Name]
3-[Bis(2-chloroethyl)amino]-L-phenylalanyl-4-fluoro-N-L-prolyl-L-phenylalanine [ACD/IUPAC Name]
3-[Bis(2-chloroéthyl)amino]-L-phénylalanyl-4-fluoro-N-L-prolyl-L-phénylalanine [French] [ACD/IUPAC Name]
L-Phenylalanine, 3-[bis(2-chloroethyl)amino]-L-phenylalanyl-4-fluoro-N-L-prolyl- [ACD/Index Name]
(2S)-2-{N-[(2S)-2-AMINO-3-{3-[BIS(2-CHLOROETHYL)AMINO]PHENYL}PROPANOYL]-1-(2S)-PYRROLIDIN-2-YLFORMAMIDO}-3-(4-FLUOROPHENYL)PROPANOIC ACID
38305-84-9 [RN]
L-Propyl-m-sarcolysyl-L-p-fluorophenylalanine
Propyl-3-sarcolysin-4-fluorophenylalanine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 757.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.8±3.0 kJ/mol
Flash Point: 411.9±32.9 °C
Index of Refraction: 1.605
Molar Refractivity: 145.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.32
ACD/LogD (pH 7.4): 0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.24
Polar Surface Area: 116 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 59.4±3.0 dyne/cm
Molar Volume: 421.3±3.0 cm3

Click to predict properties on the Chemicalize site


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