ChemSpider 2D Image | (3beta,5beta)-3-(2-Bromoacetoxy)-14-hydroxycard-20(22)-enolide | C25H35BrO5

(3β,5β)-3-(2-Bromoacetoxy)-14-hydroxycard-20(22)-enolide

  • Molecular FormulaC25H35BrO5
  • Average mass495.446 Da
  • Monoisotopic mass494.166779 Da
  • ChemSpider ID29767082
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

(3β,5β)-3-(2-Bromacetoxy)-14-hydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β)-3-(2-Bromoacetoxy)-14-hydroxycard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β)-3-(2-Bromoacétoxy)-14-hydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[(2-bromoacetyl)oxy]-14-hydroxy-, (3β,5β)- [ACD/Index Name]
(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2,5-dihydrofuran-3-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl 2-bromoacetate
[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] 2-bromoacetate
31702-65-5 [RN]
C25H35BrO5

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 594.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.7±6.0 kJ/mol
Flash Point: 313.5±30.1 °C
Index of Refraction: 1.585
Molar Refractivity: 120.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.35
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 818.49
ACD/KOC (pH 5.5): 4233.85
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 818.49
ACD/KOC (pH 7.4): 4233.85
Polar Surface Area: 73 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 53.1±5.0 dyne/cm
Molar Volume: 358.4±5.0 cm3

Click to predict properties on the Chemicalize site






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