ChemSpider 2D Image | (1'S,2'R,3R,7'R,8'R,9'S,13'R)-8'-Hydroxy-2,2,2',9',13'-pentamethyl-6',16'-bis(methylene)-6H-spiro[pyran-3,5'-[10,14,17]trioxapentacyclo[7.6.1.1~7,12~.0~1,12~.0~2,7~]heptadecane]-6,11',15'-trione | C25H28O8

(1'S,2'R,3R,7'R,8'R,9'S,13'R)-8'-Hydroxy-2,2,2',9',13'-pentamethyl-6',16'-bis(methylene)-6H-spiro[pyran-3,5'-[10,14,17]trioxapentacyclo[7.6.1.17,12.01,12.02,7]heptadecane]-6,11',15'-trione

  • Molecular FormulaC25H28O8
  • Average mass456.485 Da
  • Monoisotopic mass456.178406 Da
  • ChemSpider ID95532896

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(1'S,2'R,3R,7'R,8'R,9'S,13'R)-8'-Hydroxy-2,2,2',9',13'-pentamethyl-6',16'-bis(methylene)-6H-spiro[pyran-3,5'-[10,14,17]trioxapentacyclo[7.6.1.17,12.01,12.02,7]heptadecane]-6,11',15'-trione [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 713.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.2±6.0 kJ/mol
Flash Point: 246.7±26.4 °C
Index of Refraction: 1.614
Molar Refractivity: 113.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 27.26
ACD/KOC (pH 5.5): 370.80
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 27.26
ACD/KOC (pH 7.4): 370.80
Polar Surface Area: 108 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 57.7±5.0 dyne/cm
Molar Volume: 325.5±5.0 cm3

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