ChemSpider 2D Image | 12-Hydroxy-N-(12-hydroxy-15-oxopodocarpa-8,11,13-trien-15-yl)podocarpa-8,11,13-trien-16-amide | C34H43NO4

12-Hydroxy-N-(12-hydroxy-15-oxopodocarpa-8,11,13-trien-15-yl)podocarpa-8,11,13-trien-16-amide

  • Molecular FormulaC34H43NO4
  • Average mass529.709 Da
  • Monoisotopic mass529.319214 Da
  • ChemSpider ID23258997

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

12-Hydroxy-N-(12-hydroxy-15-oxopodocarpa-8,11,13-trien-15-yl)podocarpa-8,11,13-trien-16-amid [German] [ACD/IUPAC Name]
12-Hydroxy-N-(12-hydroxy-15-oxopodocarpa-8,11,13-trien-15-yl)podocarpa-8,11,13-trien-16-amide [ACD/IUPAC Name]
12-Hydroxy-N-(12-hydroxy-15-oxopodocarpa-8,11,13-trién-15-yl)podocarpa-8,11,13-trién-16-amide [French] [ACD/IUPAC Name]
1-Phenanthrenecarboxamide, 1,2,3,4,4a,9,10,10a-octahydro-6-hydroxy-1,4a-dimethyl-N-[[(1S,4aS,10aR)-1,2,3,4,4a,9,10,10a-octahydro-6-hydroxy-1,4a-dimethyl-1-phenanthrenyl]carbonyl]-, (4aS,10aR)- [ACD/Index Name]
(4aR,9S)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene-1-carboxylic acid ((1S,4aS,10aR)-6-hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene-1-carbonyl)-amide
(4aS,10aR)-6-Hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene-1-carboxylic acid ((1S,4aS,10aR)-6-hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene-1-carbonyl)-amide
CHEMBL365544

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

Density: 1.2±0.1 g/cm3
Boiling Point: 703.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.7±3.0 kJ/mol
Flash Point: 379.5±32.9 °C
Index of Refraction: 1.591
Molar Refractivity: 152.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 7.50
ACD/LogD (pH 5.5): 7.41
ACD/BCF (pH 5.5): 253645.28
ACD/KOC (pH 5.5): 256989.83
ACD/LogD (pH 7.4): 7.41
ACD/BCF (pH 7.4): 252960.83
ACD/KOC (pH 7.4): 256296.36
Polar Surface Area: 87 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 449.4±3.0 cm3

Click to predict properties on the Chemicalize site


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