ChemSpider 2D Image | (6S)-21-Methoxy-6,8-dimethyl-13-(2-propylpentanoyl)-2-oxa-5,8,13,17-tetraazabicyclo[17.2.2]tricosa-1(21),19,22-triene-4,7,18-trione | C29H46N4O6

(6S)-21-Methoxy-6,8-dimethyl-13-(2-propylpentanoyl)-2-oxa-5,8,13,17-tetraazabicyclo[17.2.2]tricosa-1(21),19,22-triene-4,7,18-trione

  • Molecular FormulaC29H46N4O6
  • Average mass546.699 Da
  • Monoisotopic mass546.341736 Da
  • ChemSpider ID62723931

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6S)-21-Methoxy-6,8-dimethyl-13-(2-propylpentanoyl)-2-oxa-5,8,13,17-tetraazabicyclo[17.2.2]tricosa-1(21),19,22-trien-4,7,18-trion [German] [ACD/IUPAC Name]
(6S)-21-Methoxy-6,8-dimethyl-13-(2-propylpentanoyl)-2-oxa-5,8,13,17-tetraazabicyclo[17.2.2]tricosa-1(21),19,22-triene-4,7,18-trione [ACD/IUPAC Name]
(6S)-21-Méthoxy-6,8-diméthyl-13-(2-propylpentanoyl)-2-oxa-5,8,13,17-tétraazabicyclo[17.2.2]tricosa-1(21),19,22-triène-4,7,18-trione [French] [ACD/IUPAC Name]
2-Oxa-5,8,13,17-tetraazabicyclo[17.2.2]tricosa-19,21,22-triene-4,7,18-trione, 21-methoxy-6,8-dimethyl-13-(1-oxo-2-propylpentyl)-, (6S)- [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: 824.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.8±3.0 kJ/mol
Flash Point: 452.4±34.3 °C
Index of Refraction: 1.488
Molar Refractivity: 148.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.44
ACD/LogD (pH 5.5): 1.93
ACD/BCF (pH 5.5): 17.33
ACD/KOC (pH 5.5): 268.09
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 17.33
ACD/KOC (pH 7.4): 268.09
Polar Surface Area: 117 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 35.3±3.0 dyne/cm
Molar Volume: 516.2±3.0 cm3

Click to predict properties on the Chemicalize site


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