ChemSpider 2D Image | Methyl (3R)-3-[(3R,5R,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl(2,2,3,4,4-~2~H_5_)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanoate (non-preferred name) | C24H35D5O4

Methyl (3R)-3-[(3R,5R,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl(2,2,3,4,4-2H5)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanoate (non-preferred name)

  • Molecular FormulaC24H35D5O4
  • Average mass397.603 Da
  • Monoisotopic mass397.324036 Da
  • ChemSpider ID58784652

  • defined stereocentres - 10 of 10 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3R)-3-[(3R,5R,7S,8R,9S,10S,13R,14S,17R)-3,7-Dihydroxy-10,13-diméthyl(2,2,3,4,4-2H5)hexadécahydro-1H-cyclopenta[a]phénanthrén-17-yl]butanoate de méthyle (non-preferred name) [French] [ACD/IUPAC Name]
Methyl (3R)-3-[(3R,5R,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl(2,2,3,4,4-2H5)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanoate (non-preferred name) [ACD/IUPAC Name]
Methyl-(3R)-3-[(3R,5R,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl(2,2,3,4,4-2H5)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanoat (non-preferred name) [German] [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: 495.6±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 87.9±6.0 kJ/mol
Flash Point: 160.0±15.3 °C
Index of Refraction: 1.528
Molar Refractivity: 109.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 4.05
ACD/BCF (pH 5.5): 706.89
ACD/KOC (pH 5.5): 3812.14
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 706.89
ACD/KOC (pH 7.4): 3812.14
Polar Surface Area: 67 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 42.2±3.0 dyne/cm
Molar Volume: 356.7±3.0 cm3

Click to predict properties on the Chemicalize site


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