ChemSpider 2D Image | CP-472555 | C31H32N2O2

CP-472555

  • Molecular FormulaC31H32N2O2
  • Average mass464.598 Da
  • Monoisotopic mass464.246368 Da
  • ChemSpider ID32698125

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4bS,7R,8aR)-4b-Benzyl-7-hydroxy-7-(1-propin-1-yl)-N-(3-pyridinylmethyl)-4b,5,6,7,8,8a,9,10-octahydro-2-phenanthrencarboxamid [German] [ACD/IUPAC Name]
(4bS,7R,8aR)-4b-Benzyl-7-hydroxy-7-(1-propyn-1-yl)-N-(3-pyridinylmethyl)-4b,5,6,7,8,8a,9,10-octahydro-2-phenanthrenecarboxamide [ACD/IUPAC Name]
(4bS,7R,8aR)-4b-Benzyl-7-hydroxy-7-(1-propyn-1-yl)-N-(3-pyridinylméthyl)-4b,5,6,7,8,8a,9,10-octahydro-2-phénanthrènecarboxamide [French] [ACD/IUPAC Name]
2-Phenanthrenecarboxamide, 4b,5,6,7,8,8a,9,10-octahydro-7-hydroxy-4b-(phenylmethyl)-7-(1-propyn-1-yl)-N-(3-pyridinylmethyl)-, (4bS,7R,8aR)- [ACD/Index Name]
CP-472555
(4bS,7R,8aR)-4b-benzyl-7-hydroxy-7-prop-1-ynyl-N-(pyridin-3-ylmethyl)-5,6,8,8a,9,10-hexahydrophenanthrene-2-carboxamide
2-Phenanthrenecarboxamide, 4b,5,6,7,8,8a,9,10-octahydro-7-hydroxy-4b-(phenylmethyl)-7-(1-propynyl)-N-(3-pyridinylmethyl)-, (4bS,7R,8aR)-
305821-94-7 [RN]
305821-96-9 [RN]
UNII:6T0KV7024R
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 657.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 351.7±31.5 °C
Index of Refraction: 1.651
Molar Refractivity: 138.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.59
ACD/LogD (pH 5.5): 5.71
ACD/BCF (pH 5.5): 12445.67
ACD/KOC (pH 5.5): 28784.70
ACD/LogD (pH 7.4): 5.75
ACD/BCF (pH 7.4): 13879.52
ACD/KOC (pH 7.4): 32100.95
Polar Surface Area: 62 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 62.8±5.0 dyne/cm
Molar Volume: 377.8±5.0 cm3

Click to predict properties on the Chemicalize site


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