ChemSpider 2D Image | desacetylpyramidaglain D | C38H40N2O8

desacetylpyramidaglain D

  • Molecular FormulaC38H40N2O8
  • Average mass652.733 Da
  • Monoisotopic mass652.278442 Da
  • ChemSpider ID28532965

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,9R,10R,11S,12R)-N-[4-(Benzoylamino)butyl]-1,12-dihydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-11-carboxamid [German] [ACD/IUPAC Name]
(1R,9R,10R,11S,12R)-N-[4-(Benzoylamino)butyl]-1,12-dihydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-11-carboxamide [ACD/IUPAC Name]
(1R,9R,10R,11S,12R)-N-[4-(Benzoylamino)butyl]-1,12-dihydroxy-3,5-diméthoxy-9-(4-méthoxyphényl)-10-phényl-8-oxatricyclo[7.2.1.02,7]dodéca-2,4,6-triène-11-carboxamide [French] [ACD/IUPAC Name]
2,5-Methano-1-benzoxepin-4-carboxamide, N-[4-(benzoylamino)butyl]-2,3,4,5-tetrahydro-5,10-dihydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)-3-phenyl-, (2R,3R,4S,5R,10R)- [ACD/Index Name]
desacetylpyramidaglain D
(2R,3R,4S,5R,10R)-N-[4-(benzoylamino)butyl]-5,10-dihydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)-3-phenyl-2,3,4,5-tetrahydro-2,5-methano-1-benzoxepine-4-carboxamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 904.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.7±3.0 kJ/mol
Flash Point: 500.7±34.3 °C
Index of Refraction: 1.632
Molar Refractivity: 179.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 584.22
ACD/KOC (pH 5.5): 3325.97
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 584.20
ACD/KOC (pH 7.4): 3325.87
Polar Surface Area: 136 Å2
Polarizability: 71.0±0.5 10-24cm3
Surface Tension: 58.6±3.0 dyne/cm
Molar Volume: 502.0±3.0 cm3

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