ChemSpider 2D Image | 4-Amino-N-[1-(4-amino-2-methyl-5-pyrimidinyl)-4-sec-butyl-9-(cyclohexylmethyl)-8-hydroxy-3,6,11,15-tetraoxo-17-phenyl-2,5,10,14-tetraazaheptadecan-16-yl]-1-piperidinecarboxamide | C41H64N10O6

4-Amino-N-[1-(4-amino-2-methyl-5-pyrimidinyl)-4-sec-butyl-9-(cyclohexylmethyl)-8-hydroxy-3,6,11,15-tetraoxo-17-phenyl-2,5,10,14-tetraazaheptadecan-16-yl]-1-piperidinecarboxamide

  • Molecular FormulaC41H64N10O6
  • Average mass793.010 Da
  • Monoisotopic mass792.501038 Da
  • ChemSpider ID8503425

More details:

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

4-Amino-N-[1-(4-amino-2-methyl-5-pyrimidinyl)-4-sec-butyl-9-(cyclohexylmethyl)-8-hydroxy-3,6,11,15-tetraoxo-17-phenyl-2,5,10,14-tetraazaheptadecan-16-yl]-1-piperidincarboxamid [German] [ACD/IUPAC Name]
4-Amino-N-[1-(4-amino-2-methyl-5-pyrimidinyl)-4-sec-butyl-9-(cyclohexylmethyl)-8-hydroxy-3,6,11,15-tetraoxo-17-phenyl-2,5,10,14-tetraazaheptadecan-16-yl]-1-piperidinecarboxamide [ACD/IUPAC Name]
4-Amino-N-[1-(4-amino-2-méthyl-5-pyrimidinyl)-4-sec-butyl-9-(cyclohexylméthyl)-8-hydroxy-3,6,11,15-tétraoxo-17-phényl-2,5,10,14-tétraazaheptadécan-16-yl]-1-pipéridinecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1151.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 178.1±3.0 kJ/mol
Flash Point: 650.4±34.3 °C
Index of Refraction: 1.575
Molar Refractivity: 217.5±0.3 cm3
#H bond acceptors: 16
#H bond donors: 10
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 1.57
ACD/LogD (pH 5.5): -2.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 247 Å2
Polarizability: 86.2±0.5 10-24cm3
Surface Tension: 56.6±3.0 dyne/cm
Molar Volume: 657.8±3.0 cm3

Click to predict properties on the Chemicalize site


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