Found 90 results

Search term: MF = 'C_{31}H_{52}O_{5}'
ChemSpider 2D Image | (5xi,8alpha,9xi,11beta,14beta,23S,24R)-11,23,24-Trihydroxy-25-methoxydammar-13(17)-en-3-one | C31H52O5

(5ξ,8α,9ξ,11β,14β,23S,24R)-11,23,24-Trihydroxy-25-methoxydammar-13(17)-en-3-one

  • Molecular FormulaC31H52O5
  • Average mass504.742 Da
  • Monoisotopic mass504.381470 Da
  • ChemSpider ID8250410

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(5ξ,8α,9ξ,11β,14β,23S,24R)-11,23,24-Trihydroxy-25-methoxydammar-13(17)-en-3-on [German] [ACD/IUPAC Name]
(5ξ,8α,9ξ,11β,14β,23S,24R)-11,23,24-Trihydroxy-25-methoxydammar-13(17)-en-3-one [ACD/IUPAC Name]
(5ξ,8α,9ξ,11β,14β,23S,24R)-11,23,24-Trihydroxy-25-méthoxydammar-13(17)-én-3-one [French] [ACD/IUPAC Name]
Dammar-13(17)-en-3-one, 11,23,24-trihydroxy-25-methoxy-, (5ξ,8α,9ξ,11β,14β,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: 618.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.1±6.0 kJ/mol
Flash Point: 190.4±25.0 °C
Index of Refraction: 1.544
Molar Refractivity: 143.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.01
ACD/LogD (pH 5.5): 5.32
ACD/BCF (pH 5.5): 6549.22
ACD/KOC (pH 5.5): 18759.43
ACD/LogD (pH 7.4): 5.32
ACD/BCF (pH 7.4): 6549.22
ACD/KOC (pH 7.4): 18759.43
Polar Surface Area: 87 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 45.8±5.0 dyne/cm
Molar Volume: 453.7±5.0 cm3

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