ChemSpider 2D Image | 2-Oxo-2-(5,11,17-trihydroxy-5',5',6,10,13-pentamethylhexadecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxan]-17-yl)ethyl acetate | C29H46O8

2-Oxo-2-(5,11,17-trihydroxy-5',5',6,10,13-pentamethylhexadecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxan]-17-yl)ethyl acetate

  • Molecular FormulaC29H46O8
  • Average mass522.671 Da
  • Monoisotopic mass522.319275 Da
  • ChemSpider ID3138142

More details:

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

2-Oxo-2-(5,11,17-trihydroxy-5',5',6,10,13-pentamethylhexadecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxan]-17-yl)ethyl acetate [ACD/IUPAC Name]
Ethanone, 2-(acetyloxy)-1-(hexadecahydro-5,11,17-trihydroxy-5',5',6,10,13-pentamethylspiro[3H-cyclopenta[a]phenanthrene-3,2'-[1,3]dioxan]-17-yl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 643.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.8±6.0 kJ/mol
Flash Point: 204.1±25.0 °C
Index of Refraction: 1.565
Molar Refractivity: 136.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 387.04
ACD/KOC (pH 5.5): 2476.98
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 387.04
ACD/KOC (pH 7.4): 2476.96
Polar Surface Area: 123 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 54.1±5.0 dyne/cm
Molar Volume: 418.2±5.0 cm3

Click to predict properties on the Chemicalize site


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