ChemSpider 2D Image | (2R,4R)-N-(2-Aminobutanoyl)-N-[(1E,4S,5S)-7-amino-5-formyl-4-hydroxy-1-imino-3,6-dioxo-2-phenyl-5-nonanyl]-3,4-dichloro-2-pyrrolidinecarboxamide | C25H33Cl2N5O6

(2R,4R)-N-(2-Aminobutanoyl)-N-[(1E,4S,5S)-7-amino-5-formyl-4-hydroxy-1-imino-3,6-dioxo-2-phenyl-5-nonanyl]-3,4-dichloro-2-pyrrolidinecarboxamide

  • Molecular FormulaC25H33Cl2N5O6
  • Average mass570.465 Da
  • Monoisotopic mass569.180786 Da
  • ChemSpider ID154832

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 8 defined stereocentres

More details:

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

(2R,4R)-N-(2-Aminobutanoyl)-N-[(1E,4S,5S)-7-amino-5-formyl-4-hydroxy-1-imino-3,6-dioxo-2-phenyl-5-nonanyl]-3,4-dichlor-2-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
(2R,4R)-N-(2-Aminobutanoyl)-N-[(1E,4S,5S)-7-amino-5-formyl-4-hydroxy-1-imino-3,6-dioxo-2-phenyl-5-nonanyl]-3,4-dichloro-2-pyrrolidinecarboxamide [ACD/IUPAC Name]
(2R,4R)-N-(2-Aminobutanoyl)-N-[(1E,4S,5S)-7-amino-5-formyl-4-hydroxy-1-imino-3,6-dioxo-2-phényl-5-nonanyl]-3,4-dichloro-2-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
148057-23-2 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 753.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 115.2±3.0 kJ/mol
Flash Point: 409.3±35.7 °C
Index of Refraction: 1.638
Molar Refractivity: 139.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 4
ACD/LogP: 8.52
ACD/LogD (pH 5.5): -0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 76.00
ACD/KOC (pH 7.4): 459.21
Polar Surface Area: 197 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 58.7±7.0 dyne/cm
Molar Volume: 389.2±7.0 cm3

Click to predict properties on the Chemicalize site


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