ChemSpider 2D Image | (1'S,2'R,5'R,7'S,10'R,11'R,15'R)-5'-Hydroxy-2',15'-dimethyl-14'H-spiro[1,3-dioxolane-2,16'-pentacyclo[8.7.0.0~1,5~.0~2,7~.0~11,15~]heptadecan]-14'-one | C21H30O4

(1'S,2'R,5'R,7'S,10'R,11'R,15'R)-5'-Hydroxy-2',15'-dimethyl-14'H-spiro[1,3-dioxolane-2,16'-pentacyclo[8.7.0.01,5.02,7.011,15]heptadecan]-14'-one

  • Molecular FormulaC21H30O4
  • Average mass346.461 Da
  • Monoisotopic mass346.214417 Da
  • ChemSpider ID30658603

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1'S,2'R,5'R,7'S,10'R,11'R,15'R)-5'-Hydroxy-2',15'-dimethyl-14'H-spiro[1,3-dioxolane-2,16'-pentacyclo[8.7.0.01,5.02,7.011,15]heptadecan]-14'-one [ACD/IUPAC 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: 480.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.9±6.0 kJ/mol
Flash Point: 167.4±22.2 °C
Index of Refraction: 1.594
Molar Refractivity: 92.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.25
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 36.38
ACD/KOC (pH 5.5): 455.94
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 36.38
ACD/KOC (pH 7.4): 455.94
Polar Surface Area: 56 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 53.1±5.0 dyne/cm
Molar Volume: 271.4±5.0 cm3

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