ChemSpider 2D Image | vindolinium(1+) | C25H33N2O6

vindolinium(1+)

  • Molecular FormulaC25H33N2O6
  • Average mass457.539 Da
  • Monoisotopic mass457.233307 Da
  • ChemSpider ID27471285
  • Charge - Charge

    defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(2β,3β,4β,5α,19α)-4-Acetoxy-3-hydroxy-16-methoxy-3-(methoxycarbonyl)-1-methyl-6,7-didehydroaspidospermidin-9-ium [German] [ACD/IUPAC Name]
(2β,3β,4β,5α,19α)-4-Acetoxy-3-hydroxy-16-methoxy-3-(methoxycarbonyl)-1-methyl-6,7-didehydroaspidospermidin-9-ium [ACD/IUPAC Name]
(2β,3β,4β,5α,19α)-4-Acétoxy-3-hydroxy-16-méthoxy-3-(méthoxycarbonyl)-1-méthyl-6,7-didéhydroaspidospermidin-9-ium [French] [ACD/IUPAC Name]
Aspidospermidine-3-carboxylic acid, 4-(acetyloxy)-6,7-didehydro-3-hydroxy-16-methoxy-1-methyl-, methyl ester, conjugate monoacid, (2β,3β,4β,5α,19α)- [ACD/Index Name]
vindolinium(1+)
methyl 4β-acetyloxy-3β-hydroxy-16-methoxy-1-methyl-6,7-didehydro-2β,5α,12β,19α-aspidospermidin-9-ium-3α-carboxylate
Vindoline [Wiki]
vindolinium cation

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

CHEBI:57753 [DBID]

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

Density:
Boiling Point: 569.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 298.4±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.20
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 16.86
ACD/KOC (pH 5.5): 214.25
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 34.16
ACD/KOC (pH 7.4): 434.17
Polar Surface Area: 90 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






Advertisement