ChemSpider 2D Image | (19E)-16-(Hydroxymethyl)-11,17-dimethoxy-4-methyl-17-oxosarpagan-4-ium | C23H29N2O4

(19E)-16-(Hydroxymethyl)-11,17-dimethoxy-4-methyl-17-oxosarpagan-4-ium

  • Molecular FormulaC23H29N2O4
  • Average mass397.487 Da
  • Monoisotopic mass397.212189 Da
  • ChemSpider ID23106596

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(19E)-16-(Hydroxymethyl)-11,17-dimethoxy-4-methyl-17-oxosarpagan-4-ium [German] [ACD/IUPAC Name]
(19E)-16-(Hydroxymethyl)-11,17-dimethoxy-4-methyl-17-oxosarpagan-4-ium [ACD/IUPAC Name]
(19E)-16-(Hydroxyméthyl)-11,17-diméthoxy-4-méthyl-17-oxosarpagan-4-ium [French] [ACD/IUPAC Name]
Sarpagan-4-ium, 16-(hydroxymethyl)-11,17-dimethoxy-4-methyl-17-oxo- [ACD/Index Name]
11-methoxy macusine A
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL519646/

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: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -2.05
ACD/LogD (pH 5.5): -1.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.62
ACD/LogD (pH 7.4): -1.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.62
Polar Surface Area: 72 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement