ChemSpider 2D Image | 3'-Hydroxy-2,2,2',9',13'-pentamethyl-6',16'-bis(methylene)-6,11',15'-trioxo-6H-spiro[pyran-3,5'-[10,14,17]trioxapentacyclo[7.6.1.1~7,12~.0~1,12~.0~2,7~]heptadecan]-8'-yl acetate | C27H30O10

3'-Hydroxy-2,2,2',9',13'-pentamethyl-6',16'-bis(methylene)-6,11',15'-trioxo-6H-spiro[pyran-3,5'-[10,14,17]trioxapentacyclo[7.6.1.17,12.01,12.02,7]heptadecan]-8'-yl acetate

  • Molecular FormulaC27H30O10
  • Average mass514.521 Da
  • Monoisotopic mass514.183899 Da
  • ChemSpider ID22369664

More details:

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

3'-Hydroxy-2,2,2',9',13'-pentamethyl-6',16'-bis(methylene)-6,11',15'-trioxo-6H-spiro[pyran-3,5'-[10,14,17]trioxapentacyclo[7.6.1.17,12.01,12.02,7]heptadecan]-8'-yl acetate [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: 741.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 123.4±6.0 kJ/mol
Flash Point: 249.7±26.4 °C
Index of Refraction: 1.606
Molar Refractivity: 124.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 2.83
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 34.20
ACD/KOC (pH 5.5): 436.16
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 34.20
ACD/KOC (pH 7.4): 436.16
Polar Surface Area: 135 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 59.0±5.0 dyne/cm
Molar Volume: 361.0±5.0 cm3

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