ChemSpider 2D Image | UNII:45055Y1X5K | C37H60NO4

UNII:45055Y1X5K

  • Molecular FormulaC37H60NO4
  • Average mass582.876 Da
  • Monoisotopic mass582.451660 Da
  • ChemSpider ID2342027

  • Charge - Charge

    defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(1,1-Dimethyl-2-pyrrolidiniumyl)methyl (3β)-3-hydroxy-11-oxoolean-12-en-30-oate [ACD/IUPAC Name]
(1,1-Dimethyl-2-pyrrolidiniumyl)methyl-(3β)-3-hydroxy-11-oxoolean-12-en-30-oat [German] [ACD/IUPAC Name]
(3β)-3-Hydroxy-11-oxooléan-12-én-30-oate de (1,1-diméthyl-2-pyrrolidiniumyl)méthyle [French] [ACD/IUPAC Name]
Olean-12-en-30-oic acid, 3-hydroxy-11-oxo-, (1,1-dimethyl-2-pyrrolidiniumyl)methyl ester, (3β)- [ACD/Index Name]
UNII:45055Y1X5K
53862-79-6 [RN]
ROXOLONIUM

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 321.66
ACD/KOC (pH 5.5): 2169.70
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 321.66
ACD/KOC (pH 7.4): 2169.70
Polar Surface Area: 64 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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