ChemSpider 2D Image | (3R,5S,8R,9S,10S,13S,14S,17R)-10,13-Dimethyl-3,17-bis[3-(tetrahydro-2H-pyran-2-yloxy)propyl]hexadecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol | C35H60O6

(3R,5S,8R,9S,10S,13S,14S,17R)-10,13-Dimethyl-3,17-bis[3-(tetrahydro-2H-pyran-2-yloxy)propyl]hexadecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol

  • Molecular FormulaC35H60O6
  • Average mass576.847 Da
  • Monoisotopic mass576.438965 Da
  • ChemSpider ID8992301

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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

(3R,5S,8R,9S,10S,13S,14S,17R)-10,13-Dimethyl-3,17-bis[3-(tetrahydro-2H-pyran-2-yloxy)propyl]hexadecahydro-1H-cyclopenta[a]phenanthren-3,17-diol [German] [ACD/IUPAC Name]
(3R,5S,8R,9S,10S,13S,14S,17R)-10,13-Dimethyl-3,17-bis[3-(tetrahydro-2H-pyran-2-yloxy)propyl]hexadecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol [ACD/IUPAC Name]
(3R,5S,8R,9S,10S,13S,14S,17R)-10,13-Diméthyl-3,17-bis[3-(tétrahydro-2H-pyran-2-yloxy)propyl]hexadécahydro-1H-cyclopenta[a]phénanthrène-3,17-diol [French] [ACD/IUPAC 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: 666.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.1±6.0 kJ/mol
Flash Point: 356.7±31.5 °C
Index of Refraction: 1.546
Molar Refractivity: 161.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.62
ACD/LogD (pH 5.5): 5.69
ACD/BCF (pH 5.5): 12354.29
ACD/KOC (pH 5.5): 29546.90
ACD/LogD (pH 7.4): 5.69
ACD/BCF (pH 7.4): 12354.29
ACD/KOC (pH 7.4): 29546.90
Polar Surface Area: 77 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 47.9±5.0 dyne/cm
Molar Volume: 510.7±5.0 cm3

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