ChemSpider 2D Image | 4-(3,12-Dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic 3,4,5-trimethoxybenzoic anhydride | C34H50O8

4-(3,12-Dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic 3,4,5-trimethoxybenzoic anhydride

  • Molecular FormulaC34H50O8
  • Average mass586.756 Da
  • Monoisotopic mass586.350586 Da
  • ChemSpider ID3315594

More details:

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

4-(3,12-Dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic 3,4,5-trimethoxybenzoic anhydride [ACD/IUPAC Name]
4-(3,12-Dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentansäure3,4,5-trimethoxybenzoesäureanhydrid [German] [ACD/IUPAC Name]
Anhydride 4-(3,12-dihydroxy-10,13-diméthylhexadécahydro-1H-cyclopenta[a]phénanthrén-17-yl)pentanoïque-3,4,5-triméthoxybenzoïque [French] [ACD/IUPAC Name]
3-(3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic 3,4,5-trimethoxyphenyl anhydride

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

Density: 1.2±0.1 g/cm3
Boiling Point: 707.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.6±3.0 kJ/mol
Flash Point: 217.9±26.4 °C
Index of Refraction: 1.545
Molar Refractivity: 159.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.40
ACD/LogD (pH 5.5): 5.64
ACD/BCF (pH 5.5): 11433.30
ACD/KOC (pH 5.5): 27952.99
ACD/LogD (pH 7.4): 5.64
ACD/BCF (pH 7.4): 11433.30
ACD/KOC (pH 7.4): 27952.99
Polar Surface Area: 112 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 504.6±3.0 cm3

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