ChemSpider 2D Image | Methyl (19Z)-10,11-dimethoxy-1-methyl-17-[(3,4,5-trimethoxybenzoyl)oxy]-1,2-dihydro-2,5-epoxyakuammilan-16-carboxylate | C34H40N2O10

Methyl (19Z)-10,11-dimethoxy-1-methyl-17-[(3,4,5-trimethoxybenzoyl)oxy]-1,2-dihydro-2,5-epoxyakuammilan-16-carboxylate

  • Molecular FormulaC34H40N2O10
  • Average mass636.689 Da
  • Monoisotopic mass636.268311 Da
  • ChemSpider ID4585622

  • Double-bond stereo - Double-bond stereo

More details:

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

(19Z)-10,11-Diméthoxy-1-méthyl-17-[(3,4,5-triméthoxybenzoyl)oxy]-1,2-dihydro-2,5-époxyakuammilan-16-carboxylate de méthyle [French] [ACD/IUPAC Name]
2H,12H-6,12a-Epoxy-2,7a-methanoindolo[2,3-a]quinolizine-14-carboxylic acid, 3-ethylidene-1,3,4,6,7,12b-hexahydro-9,10-dimethoxy-12-methyl-14-[[(3,4,5-trimethoxybenzoyl)oxy]methyl]-, methyl ester, (3Z) - [ACD/Index Name]
Methyl (19Z)-10,11-dimethoxy-1-methyl-17-[(3,4,5-trimethoxybenzoyl)oxy]-1,2-dihydro-2,5-epoxyakuammilan-16-carboxylate [ACD/IUPAC Name]
Methyl-(19Z)-10,11-dimethoxy-1-methyl-17-[(3,4,5-trimethoxybenzoyl)oxy]-1,2-dihydro-2,5-epoxyakuammilan-16-carboxylat [German] [ACD/IUPAC Name]
PICRALINE TRIMETHOXYBENZOATE,1-METHYL-10,11-DIMETHOXY

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

NSC374525 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 722.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 390.7±32.9 °C
Index of Refraction: 1.634
Molar Refractivity: 164.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 4.00
ACD/BCF (pH 5.5): 638.48
ACD/KOC (pH 5.5): 3524.28
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 651.13
ACD/KOC (pH 7.4): 3594.14
Polar Surface Area: 114 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 62.2±5.0 dyne/cm
Molar Volume: 460.5±5.0 cm3

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