ChemSpider 2D Image | (14beta)-19-(Chloromethyl)-2,3-dimethoxy-10-oxostrychnidin-19-ium | C24H28ClN2O4

(14β)-19-(Chloromethyl)-2,3-dimethoxy-10-oxostrychnidin-19-ium

  • Molecular FormulaC24H28ClN2O4
  • Average mass443.943 Da
  • Monoisotopic mass443.173218 Da
  • ChemSpider ID23100018

  • Charge - Charge

    defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(14β)-19-(Chlormethyl)-2,3-dimethoxy-10-oxostrychnidin-19-ium [German] [ACD/IUPAC Name]
(14β)-19-(Chloromethyl)-2,3-dimethoxy-10-oxostrychnidin-19-ium [ACD/IUPAC Name]
(14β)-19-(Chlorométhyl)-2,3-diméthoxy-10-oxostrychnidin-19-ium [French] [ACD/IUPAC Name]
Strychnidin-19-ium, 19-(chloromethyl)-2,3-dimethoxy-10-oxo-, (14β)- [ACD/Index Name]
(1R,11S,18S,20R,21R,22S)-12-oxa-17-azonia-8-azaheptacyclo[15.5.2.01,18.02,7.08,22.011,21.015,20]tetracosa-2(7),3,5,14-tetraen-9-one
(1S,11S,18S,20R,21R,22S)-17-(chloromethyl)-4,5-dimethoxy-9-oxo-12-oxa-8,17-diazaheptacyclo[15.5.2.01,18.02,7.08,22.011,21.015,20]tetracosa-2(7),3,5,14-tetraen-17-ium
(1S,11S,18S,20R,21R,22S)-17-(chloromethyl)-4,5-dimethoxy-9-oxo-12-oxa-8,17-diazaheptacyclo[15.5.2.01,18.02,7.08,22.011,21.015,20]tetracosa-2(7),3,5,14-tetraen-17-ium
CMB
N-chloromethylbrucine
N-chloromethyl-brucine

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: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -2.97
ACD/LogD (pH 5.5): -1.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.81
ACD/LogD (pH 7.4): -1.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.81
Polar Surface Area: 48 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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