ChemSpider 2D Image | (10S,15S)-N-Cyclopentyl-10-isobutyl-9,12,17-trioxo-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1,8,11,16-benzoxatriazacyclononadecine-15-carboxamide | C29H44N4O5

(10S,15S)-N-Cyclopentyl-10-isobutyl-9,12,17-trioxo-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1,8,11,16-benzoxatriazacyclononadecine-15-carboxamide

  • Molecular FormulaC29H44N4O5
  • Average mass528.683 Da
  • Monoisotopic mass528.331177 Da
  • ChemSpider ID80831023

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(10S,15S)-N-Cyclopentyl-10-isobutyl-9,12,17-trioxo-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1,8,11,16-benzoxatriazacyclononadecin-15-carboxamid [German] [ACD/IUPAC Name]
(10S,15S)-N-Cyclopentyl-10-isobutyl-9,12,17-trioxo-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1,8,11,16-benzoxatriazacyclononadecine-15-carboxamide [ACD/IUPAC Name]
(10S,15S)-N-Cyclopentyl-10-isobutyl-9,12,17-trioxo-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadécahydro-1,8,11,16-benzoxatriazacyclononadécine-15-carboxamide [French] [ACD/IUPAC Name]
1,8,11,16-Benzoxatriazacyclononadecine-15-carboxamide, N-cyclopentyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-10-(2-methylpropyl)-9,12,17-trioxo-, (10S,15S)- [ACD/Index 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: 877.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 127.5±3.0 kJ/mol
Flash Point: 484.4±34.3 °C
Index of Refraction: 1.558
Molar Refractivity: 145.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 1.81
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 26.16
ACD/KOC (pH 5.5): 360.01
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 26.16
ACD/KOC (pH 7.4): 360.01
Polar Surface Area: 126 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 51.2±5.0 dyne/cm
Molar Volume: 452.5±5.0 cm3

Click to predict properties on the Chemicalize site


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