ChemSpider 2D Image | 2-Methoxy-2-oxoethyl (3beta)-3-hydroxylup-20(29)-en-28-oate | C33H52O5

2-Methoxy-2-oxoethyl (3β)-3-hydroxylup-20(29)-en-28-oate

  • Molecular FormulaC33H52O5
  • Average mass528.763 Da
  • Monoisotopic mass528.381470 Da
  • ChemSpider ID8657472

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β)-3-Hydroxylup-20(29)-én-28-oate de 2-méthoxy-2-oxoéthyle [French] [ACD/IUPAC Name]
2-Methoxy-2-oxoethyl (3β)-3-hydroxylup-20(29)-en-28-oate [ACD/IUPAC Name]
2-Methoxy-2-oxoethyl-(3β)-3-hydroxylup-20(29)-en-28-oat [German] [ACD/IUPAC Name]
Lup-20(29)-en-28-oic acid, 3-hydroxy-, 2-methoxy-2-oxoethyl ester, (3β)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL509422/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 579.7±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.6±6.0 kJ/mol
Flash Point: 173.0±18.1 °C
Index of Refraction: 1.520
Molar Refractivity: 149.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 9.51
ACD/LogD (pH 5.5): 8.18
ACD/BCF (pH 5.5): 976940.63
ACD/KOC (pH 5.5): 674708.75
ACD/LogD (pH 7.4): 8.18
ACD/BCF (pH 7.4): 976940.63
ACD/KOC (pH 7.4): 674708.75
Polar Surface Area: 73 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 39.1±3.0 dyne/cm
Molar Volume: 490.7±3.0 cm3

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