ChemSpider 2D Image | 11-{[(3beta)-3-Hydroxy-28-oxolup-20(29)-en-28-yl]oxy}undecanoic acid | C41H68O5

11-{[(3β)-3-Hydroxy-28-oxolup-20(29)-en-28-yl]oxy}undecanoic acid

  • Molecular FormulaC41H68O5
  • Average mass640.976 Da
  • Monoisotopic mass640.506653 Da
  • ChemSpider ID407658

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

11-{[(3β)-3-Hydroxy-28-oxolup-20(29)-en-28-yl]oxy}undecanoic acid [ACD/IUPAC Name]
11-{[(3β)-3-Hydroxy-28-oxolup-20(29)-en-28-yl]oxy}undecansäure [German] [ACD/IUPAC Name]
Acide 11-{[(3β)-3-hydroxy-28-oxolup-20(29)-én-28-yl]oxy}undécanoïque [French] [ACD/IUPAC Name]
Lup-20(29)-en-28-oic acid, 3-hydroxy-, 10-carboxydecyl ester, (3β)- [ACD/Index Name]
11-((3β-Hydroxylup-20(29)-en-28-oyl)oxy)undecanoic acid
11-[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]oxyundecanoic acid
11-[[3β-Hydroxylup-20(29)-en-28-oyl]oxy]undecanoic acid
173106-15-5 [RN]
Lup-20(29)-en-28-oic acid, 3-hydroxy-, 10-carboxydecyl ester, (3β)-

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

AIDS033526 [DBID]
AIDS-033526 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 689.5±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.6±6.0 kJ/mol
Flash Point: 196.7±18.1 °C
Index of Refraction: 1.518
Molar Refractivity: 185.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 12.61
ACD/LogD (pH 5.5): 10.52
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 5450452.50
ACD/LogD (pH 7.4): 8.73
ACD/BCF (pH 7.4): 601118.00
ACD/KOC (pH 7.4): 87429.41
Polar Surface Area: 84 Å2
Polarizability: 73.7±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 613.9±3.0 cm3

Click to predict properties on the Chemicalize site


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