ChemSpider 2D Image | Methyl (7R)-5-hydroxy-3-oxo-7-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-triacetoxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]octanoate | C34H52O10

Methyl (7R)-5-hydroxy-3-oxo-7-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-triacetoxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]octanoate

  • Molecular FormulaC34H52O10
  • Average mass620.771 Da
  • Monoisotopic mass620.356018 Da
  • ChemSpider ID31106506

  • defined stereocentres - 11 of 12 defined stereocentres

More details:

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

(7R)-5-Hydroxy-3-oxo-7-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-triacétoxy-10,13-diméthylhexadécahydro-1H-cyclopenta[a]phénanthrén-17-yl]octanoate de méthyle [French] [ACD/IUPAC Name]
Methyl (7R)-5-hydroxy-3-oxo-7-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-triacetoxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]octanoate [ACD/IUPAC Name]
Methyl-(7R)-5-hydroxy-3-oxo-7-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-triacetoxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]octanoat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 657.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.8±6.0 kJ/mol
Flash Point: 195.4±25.0 °C
Index of Refraction: 1.528
Molar Refractivity: 160.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 3622.70
ACD/KOC (pH 5.5): 12278.54
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3618.10
ACD/KOC (pH 7.4): 12262.99
Polar Surface Area: 143 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 48.1±5.0 dyne/cm
Molar Volume: 520.4±5.0 cm3

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