ChemSpider 2D Image | (15Z)-12-Hydroxy-11,16-dioxosenecionan-4-ium | C18H26NO5

(15Z)-12-Hydroxy-11,16-dioxosenecionan-4-ium

  • Molecular FormulaC18H26NO5
  • Average mass336.402 Da
  • Monoisotopic mass336.180542 Da
  • ChemSpider ID31150339

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(15Z)-12-Hydroxy-11,16-dioxosenecionan-4-ium [German] [ACD/IUPAC Name]
(15Z)-12-Hydroxy-11,16-dioxosenecionan-4-ium [ACD/IUPAC Name]
(15Z)-12-Hydroxy-11,16-dioxosénécionan-4-ium [French] [ACD/IUPAC Name]
[1,6]Dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione, 3-ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6-hydroxy-5,6-dimethyl-, conjugate acid, (3Z,5R,6R,14aR,14bR)- [ACD/Index Name]
12-hydroxy-11,16-dioxosenecionan-4-ium
Senecionine [Wiki]
senecionine cation
senecionine(1+)
  • Miscellaneous

    • Chemical Class:

      An organic cation obtained by protonation of the tertiary amino group of senecionine; major structure at pH 7.3. ChEBI CHEBI:77617

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

Density:
Boiling Point: 563.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.3±6.0 kJ/mol
Flash Point: 294.7±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.88
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 3.71
ACD/KOC (pH 5.5): 62.05
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 12.73
ACD/KOC (pH 7.4): 213.10
Polar Surface Area: 77 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement