ChemSpider 2D Image | (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]butanoic acid (non-preferred name) | C23H33D5O4

(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]butanoic acid (non-preferred name)

  • Molecular FormulaC23H33D5O4
  • Average mass383.576 Da
  • Monoisotopic mass383.308380 Da
  • ChemSpider ID58784651

  • 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-dimethyl(2,2,3,4,4-2H5)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanoic acid (non-preferred name) [ACD/IUPAC Name]
(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]butansäure (non-preferred name) [German] [ACD/IUPAC Name]
Acide (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]butanoïque (non-preferred name) [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: 536.7±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.5±6.0 kJ/mol
Flash Point: 292.4±19.7 °C
Index of Refraction: 1.547
Molar Refractivity: 105.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 38.98
ACD/KOC (pH 5.5): 273.17
ACD/LogD (pH 7.4): 0.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.33
Polar Surface Area: 78 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 331.4±3.0 cm3

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