ChemSpider 2D Image | 20-Ethyl-1-hydroxy-4-(hydroxymethyl)-6,16-dimethoxyaconitane-8,14-diyl diacetate | C27H41NO8

20-Ethyl-1-hydroxy-4-(hydroxymethyl)-6,16-dimethoxyaconitane-8,14-diyl diacetate

  • Molecular FormulaC27H41NO8
  • Average mass507.616 Da
  • Monoisotopic mass507.283203 Da
  • ChemSpider ID432819

More details:

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

20-Ethyl-1-hydroxy-4-(hydroxymethyl)-6,16-dimethoxyaconitan-8,14-diyl-diacetat [German] [ACD/IUPAC Name]
20-Ethyl-1-hydroxy-4-(hydroxymethyl)-6,16-dimethoxyaconitane-8,14-diyl diacetate [ACD/IUPAC Name]
Aconitane-1,8,14-triol, 20-ethyl-4-(hydroxymethyl)-6,16-dimethoxy-, 8,14-diacetate [ACD/Index Name]
Diacétate de 20-éthyl-1-hydroxy-4-(hydroxyméthyl)-6,16-diméthoxyaconitane-8,14-diyle [French] [ACD/IUPAC Name]
14-(Acetyloxy)-20-ethyl-1-hydroxy-4-(hydroxymethyl)-6,16-dimethoxyaconitan-8-yl acetate
Delstaphisagrine

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

AIDS131804 [DBID]
AIDS-131804 [DBID]
NSC624753 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 588.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.8±6.0 kJ/mol
Flash Point: 309.5±30.1 °C
Index of Refraction: 1.585
Molar Refractivity: 128.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -1.37
ACD/LogD (pH 5.5): -1.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.24
ACD/LogD (pH 7.4): -0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.78
Polar Surface Area: 115 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 57.0±5.0 dyne/cm
Molar Volume: 384.0±5.0 cm3

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