ChemSpider 2D Image | Alisol A | C30H50O5

Alisol A

  • Molecular FormulaC30H50O5
  • Average mass490.715 Da
  • Monoisotopic mass490.365814 Da
  • ChemSpider ID30791659

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(8α,9β,11β,14β,20S,23S,24R)-11,23,24,25-Tetrahydroxydammar-13(17)-en-3-on [German] [ACD/IUPAC Name]
(8α,9β,11β,14β,20S,23S,24R)-11,23,24,25-Tetrahydroxydammar-13(17)-en-3-one [ACD/IUPAC Name]
(8α,9β,11β,14β,20S,23S,24R)-11,23,24,25-Tétrahydroxydammar-13(17)-én-3-one [French] [ACD/IUPAC Name]
Alisol A
Dammar-13(17)-en-3-one, 11,23,24,25-tetrahydroxy-, (8α,9β,11β,14β,20S,23S,24R)- [ACD/Index Name]

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

Density: 1.1±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: 348.4±28.0 °C
Index of Refraction: 1.559
Molar Refractivity: 138.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 4.53
ACD/BCF (pH 5.5): 1618.68
ACD/KOC (pH 5.5): 6897.88
ACD/LogD (pH 7.4): 4.53
ACD/BCF (pH 7.4): 1618.68
ACD/KOC (pH 7.4): 6897.88
Polar Surface Area: 98 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 428.9±5.0 cm3

Click to predict properties on the Chemicalize site


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