ChemSpider 2D Image | (1S,2R,5S,7R,9S,11S,12R)-11-Hydroxy-2,2',2',9,12-pentamethyl-6,15-bis(methylene)-6'H,10H-spiro[13-oxatetracyclo[7.5.1.0~1,11~.0~2,7~]pentadecane-5,3'-pyran]-6',10,14-trione | C25H30O6

(1S,2R,5S,7R,9S,11S,12R)-11-Hydroxy-2,2',2',9,12-pentamethyl-6,15-bis(methylene)-6'H,10H-spiro[13-oxatetracyclo[7.5.1.01,11.02,7]pentadecane-5,3'-pyran]-6',10,14-trione

  • Molecular FormulaC25H30O6
  • Average mass426.502 Da
  • Monoisotopic mass426.204254 Da
  • ChemSpider ID22943133

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1S,2R,5S,7R,9S,11S,12R)-11-Hydroxy-2,2',2',9,12-pentamethyl-6,15-bis(methylene)-6'H,10H-spiro[13-oxatetracyclo[7.5.1.01,11.02,7]pentadecane-5,3'-pyran]-6',10,14-trione [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: 629.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.7±6.0 kJ/mol
Flash Point: 215.1±25.0 °C
Index of Refraction: 1.590
Molar Refractivity: 112.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 162.14
ACD/KOC (pH 5.5): 1328.74
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 161.99
ACD/KOC (pH 7.4): 1327.50
Polar Surface Area: 90 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 331.9±5.0 cm3

Click to predict properties on the Chemicalize site


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