ChemSpider 2D Image | (5S,10R,13R,17R)-10-Methoxy-13-methyl-17-(1-propyn-1-yl)-1,2,6,7,8,10,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolane]-5,17(4H)-diol | C24H34O5

(5S,10R,13R,17R)-10-Methoxy-13-methyl-17-(1-propyn-1-yl)-1,2,6,7,8,10,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolane]-5,17(4H)-diol

  • Molecular FormulaC24H34O5
  • Average mass402.524 Da
  • Monoisotopic mass402.240631 Da
  • ChemSpider ID113598751

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(5S,10R,13R,17R)-10-Methoxy-13-methyl-17-(1-propyn-1-yl)-1,2,6,7,8,10,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolane]-5,17(4H)-diol [ACD/IUPAC Name]
Spiro[3H-cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolane]-5,17(4H)-diol, 1,2,6,7,8,10,12,13,14,15,16,17-dodecahydro-10-methoxy-13-methyl-17-(1-propyn-1-yl)-, (5S,10R,13R,17R)- [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: 559.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 96.8±6.0 kJ/mol
Flash Point: 292.2±30.1 °C
Index of Refraction: 1.594
Molar Refractivity: 109.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 128.76
ACD/KOC (pH 5.5): 1126.65
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 128.76
ACD/KOC (pH 7.4): 1126.65
Polar Surface Area: 68 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 55.9±5.0 dyne/cm
Molar Volume: 321.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement