ChemSpider 2D Image | (5xi,8alpha,9beta,10alpha,14beta,17alpha,19alpha,20beta)-3-Oxours-12-en-28-oic acid | C30H46O3

(5ξ,8α,9β,10α,14β,17α,19α,20β)-3-Oxours-12-en-28-oic acid

  • Molecular FormulaC30H46O3
  • Average mass454.684 Da
  • Monoisotopic mass454.344696 Da
  • ChemSpider ID111318705

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(5ξ,8α,9β,10α,14β,17α,19α,20β)-3-Oxours-12-en-28-oic acid [ACD/IUPAC Name]
(5ξ,8α,9β,10α,14β,17α,19α,20β)-3-Oxours-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (5ξ,8α,9β,10α,14β,17α,19α,20β)-3-oxours-12-én-28-oïque [French] [ACD/IUPAC Name]
Urs-12-en-28-oic acid, 3-oxo-, (5ξ,8α,9β,10α,14β,17α,19α,20β)- [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: 555.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 91.4±6.0 kJ/mol
Flash Point: 303.6±26.6 °C
Index of Refraction: 1.550
Molar Refractivity: 132.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 8.43
ACD/LogD (pH 5.5): 7.25
ACD/BCF (pH 5.5): 117446.08
ACD/KOC (pH 5.5): 83266.76
ACD/LogD (pH 7.4): 5.45
ACD/BCF (pH 7.4): 1855.66
ACD/KOC (pH 7.4): 1315.63
Polar Surface Area: 54 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 43.8±5.0 dyne/cm
Molar Volume: 414.7±5.0 cm3

Click to predict properties on the Chemicalize site


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