ChemSpider 2D Image | 2,16,20,25-Tetrahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-2,5,23-triene-1,11,22-trione | C30H42O7

2,16,20,25-Tetrahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-2,5,23-triene-1,11,22-trione

  • Molecular FormulaC30H42O7
  • Average mass514.650 Da
  • Monoisotopic mass514.293030 Da
  • ChemSpider ID2785

More details:

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

2,16,20,25-Tetrahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-2,5,23-trien-1,11,22-trion [German] [ACD/IUPAC Name]
2,16,20,25-Tetrahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-2,5,23-triene-1,11,22-trione [ACD/IUPAC Name]
2,16,20,25-Tétrahydroxy-9,10,14-triméthyl-4,9-cyclo-9,10-sécocholesta-2,5,23-triène-1,11,22-trione [French] [ACD/IUPAC Name]
Estra-1,5-diene-3,11-dione, 17-(1,5-dihydroxy-1,5-dimethyl-2-oxo-3-hexen-1-yl)-2,16-dihydroxy-4,4,9,14-tetramethyl- [ACD/Index Name]
17-(1,5-dihydroxy-1,5-dimethyl-2-oxo-3-hexenyl)-2,16-dihydroxy-4,4,9,14-tetramethylestra-1,5-diene-3,11-dione

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

NCI60_000266 [DBID]
NCI60_004269 [DBID]
NSC521777 [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: 698.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 116.9±6.0 kJ/mol
Flash Point: 390.1±28.0 °C
Index of Refraction: 1.594
Molar Refractivity: 138.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.33
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 84.06
ACD/KOC (pH 5.5): 830.10
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 78.16
ACD/KOC (pH 7.4): 771.79
Polar Surface Area: 132 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 57.1±5.0 dyne/cm
Molar Volume: 408.2±5.0 cm3

Click to predict properties on the Chemicalize site


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