ChemSpider 2D Image | (4R,7S,10R)-4-Benzyl-17-(2,2-dimethylpropanoyl)-7-isobutyl-10-methyl-3,6,9,12,17-pentaazabicyclo[17.2.2]tricosa-1(21),19,22-triene-2,5,8,11-tetrone | C35H49N5O5

(4R,7S,10R)-4-Benzyl-17-(2,2-dimethylpropanoyl)-7-isobutyl-10-methyl-3,6,9,12,17-pentaazabicyclo[17.2.2]tricosa-1(21),19,22-triene-2,5,8,11-tetrone

  • Molecular FormulaC35H49N5O5
  • Average mass619.794 Da
  • Monoisotopic mass619.373352 Da
  • ChemSpider ID71278010

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4R,7S,10R)-4-Benzyl-17-(2,2-dimethylpropanoyl)-7-isobutyl-10-methyl-3,6,9,12,17-pentaazabicyclo[17.2.2]tricosa-1(21),19,22-trien-2,5,8,11-tetron [German] [ACD/IUPAC Name]
(4R,7S,10R)-4-Benzyl-17-(2,2-dimethylpropanoyl)-7-isobutyl-10-methyl-3,6,9,12,17-pentaazabicyclo[17.2.2]tricosa-1(21),19,22-triene-2,5,8,11-tetrone [ACD/IUPAC Name]
(4R,7S,10R)-4-Benzyl-17-(2,2-diméthylpropanoyl)-7-isobutyl-10-méthyl-3,6,9,12,17-pentaazabicyclo[17.2.2]tricosa-1(21),19,22-triène-2,5,8,11-tétrone [French] [ACD/IUPAC Name]
3,6,9,12,17-Pentaazabicyclo[17.2.2]tricosa-19,21,22-triene-2,5,8,11-tetrone, 17-(2,2-dimethyl-1-oxopropyl)-10-methyl-7-(2-methylpropyl)-4-(phenylmethyl)-, (4R,7S,10R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 940.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.0±3.0 kJ/mol
Flash Point: 522.7±34.3 °C
Index of Refraction: 1.510
Molar Refractivity: 172.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 38.19
ACD/KOC (pH 5.5): 471.75
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 38.19
ACD/KOC (pH 7.4): 471.75
Polar Surface Area: 137 Å2
Polarizability: 68.5±0.5 10-24cm3
Surface Tension: 36.5±3.0 dyne/cm
Molar Volume: 578.1±3.0 cm3

Click to predict properties on the Chemicalize site


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