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ChemSpider 2D Image | 4-Acetoxy-3-hydroxy-16-methoxy-3-(methoxycarbonyl)-1-methyl-6,7-didehydroaspidospermidin-9-ium | C25H33N2O6

4-Acetoxy-3-hydroxy-16-methoxy-3-(methoxycarbonyl)-1-methyl-6,7-didehydroaspidospermidin-9-ium

  • Molecular FormulaC25H33N2O6
  • Average mass457.539 Da
  • Monoisotopic mass457.233307 Da
  • ChemSpider ID24785417

  • Charge - Charge

More details:

Date of deprecation: 17:15, Apr 27, 2017
Reason for deprecation: Deprecate record: no defined stereochemistry

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

4-Acetoxy-3-hydroxy-16-methoxy-3-(methoxycarbonyl)-1-methyl-6,7-didehydroaspidospermidin-9-ium [ACD/IUPAC Name]
4-Acetoxy-3-hydroxy-16-methoxy-3-(methoxycarbonyl)-1-methyl-6,7-didehydroaspidospermidin-9-ium [German] [ACD/IUPAC Name]
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 [ACD/Index Name]
Vindoline [Wiki]

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


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