ChemSpider 2D Image | 2,16,20,24,25-Pentahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-2,5-diene-1,11,22-trione | C30H44O8

2,16,20,24,25-Pentahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-2,5-diene-1,11,22-trione

  • Molecular FormulaC30H44O8
  • Average mass532.666 Da
  • Monoisotopic mass532.303589 Da
  • ChemSpider ID237486

More details:

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

2,16,20,24,25-Pentahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-2,5-dien-1,11,22-trion [German] [ACD/IUPAC Name]
2,16,20,24,25-Pentahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-2,5-diene-1,11,22-trione [ACD/IUPAC Name]
2,16,20,24,25-Pentahydroxy-9,10,14-triméthyl-4,9-cyclo-9,10-sécocholesta-2,5-diène-1,11,22-trione [French] [ACD/IUPAC Name]
Estra-1,5-diene-3,11-dione, 2,16-dihydroxy-4,4,9,14-tetramethyl-17-(1,4,5-trihydroxy-1,5-dimethyl-2-oxohexyl)- [ACD/Index Name]
2,16-Dihydroxy-4,4,9,14-tetramethyl-17-(1,4,5-trihydroxy-1,5-dimethyl-2-oxohexyl)estra-1,5-diene-3,11-dione
6766-43-4 [RN]
Cucurbitacin K

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

AIDS126477 [DBID]
AIDS-126477 [DBID]
NCI60_000265 [DBID]
NSC 112166 [DBID]
NSC112166 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 737.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.8±6.0 kJ/mol
Flash Point: 413.7±29.4 °C
Index of Refraction: 1.594
Molar Refractivity: 140.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 1.78
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 14.56
ACD/KOC (pH 5.5): 236.62
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 13.54
ACD/KOC (pH 7.4): 220.03
Polar Surface Area: 152 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 60.2±5.0 dyne/cm
Molar Volume: 412.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement