Found 12 results

Search term: YIMHGPSYDOGBPI (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3alpha,9beta,10alpha,14beta,17alpha,18alpha)-3-Hydroxy-11-oxours-12-en-24-oic acid | C30H46O4

(3α,9β,10α,14β,17α,18α)-3-Hydroxy-11-oxours-12-en-24-oic acid

  • Molecular FormulaC30H46O4
  • Average mass470.684 Da
  • Monoisotopic mass470.339600 Da
  • ChemSpider ID114391853

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3α,9β,10α,14β,17α,18α)-3-Hydroxy-11-oxours-12-en-24-oic acid [ACD/IUPAC Name]
(3α,9β,10α,14β,17α,18α)-3-Hydroxy-11-oxours-12-en-24-säure [German] [ACD/IUPAC Name]
Acide (3α,9β,10α,14β,17α,18α)-3-hydroxy-11-oxours-12-én-24-oïque [French] [ACD/IUPAC Name]
Urs-12-en-24-oic acid, 3-hydroxy-11-oxo-, (3α,9β,10α,14β,17α,18α)- [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: 591.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.3±6.0 kJ/mol
Flash Point: 325.8±26.6 °C
Index of Refraction: 1.561
Molar Refractivity: 133.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 7.10
ACD/LogD (pH 5.5): 5.54
ACD/BCF (pH 5.5): 4803.93
ACD/KOC (pH 5.5): 6600.46
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 79.20
ACD/KOC (pH 7.4): 108.82
Polar Surface Area: 75 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 47.3±5.0 dyne/cm
Molar Volume: 412.5±5.0 cm3

Click to predict properties on the Chemicalize site


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