ChemSpider 2D Image | (5xi,9xi,13xi,17xi,18xi,19xi)-3-Hydroxylup-20(29)-en-28-al | C30H48O2

(5ξ,9ξ,13ξ,17ξ,18ξ,19ξ)-3-Hydroxylup-20(29)-en-28-al

  • Molecular FormulaC30H48O2
  • Average mass440.701 Da
  • Monoisotopic mass440.365417 Da
  • ChemSpider ID21781518

  • defined stereocentres - 3 of 10 defined stereocentres

More details:

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

(5ξ,9ξ,13ξ,17ξ,18ξ,19ξ)-3-Hydroxylup-20(29)-en-28-al [ACD/IUPAC Name]
(5ξ,9ξ,13ξ,17ξ,18ξ,19ξ)-3-Hydroxylup-20(29)-en-28-al [German] [ACD/IUPAC Name]
(5ξ,9ξ,13ξ,17ξ,18ξ,19ξ)-3-Hydroxylup-20(29)-én-28-al [French] [ACD/IUPAC Name]
Lup-20(29)-en-28-al, 3-hydroxy-, (5ξ,9ξ,13ξ,17ξ,18ξ,19ξ)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 513.9±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.4±6.0 kJ/mol
Flash Point: 217.4±18.0 °C
Index of Refraction: 1.545
Molar Refractivity: 133.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 9.07
ACD/LogD (pH 5.5): 8.31
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 790892.63
ACD/LogD (pH 7.4): 8.31
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 790892.63
Polar Surface Area: 37 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 423.1±3.0 cm3

Click to predict properties on the Chemicalize site


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