ChemSpider 2D Image | Methyl 16-{[(3,4-dimethoxybenzoyl)oxy]methyl}-1,2-dihydro-2,5-epoxyakuammilan-17-oate | C30H32N2O7

Methyl 16-{[(3,4-dimethoxybenzoyl)oxy]methyl}-1,2-dihydro-2,5-epoxyakuammilan-17-oate

  • Molecular FormulaC30H32N2O7
  • Average mass532.584 Da
  • Monoisotopic mass532.220947 Da
  • ChemSpider ID24643838

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

16-{[(3,4-Diméthoxybenzoyl)oxy]méthyl}-1,2-dihydro-2,5-époxyakuammilan-17-oate de méthyle [French] [ACD/IUPAC Name]
2H,12H-6,12a-Epoxy-2,7a-methanoindolo[2,3-a]quinolizine-14-carboxylic acid, 14-[[(3,4-dimethoxybenzoyl)oxy]methyl]-3-ethylidene-1,3,4,6,7,12b-hexahydro-, methyl ester [ACD/Index Name]
Methyl 16-{[(3,4-dimethoxybenzoyl)oxy]methyl}-1,2-dihydro-2,5-epoxyakuammilan-17-oate [ACD/IUPAC Name]
Methyl-16-{[(3,4-dimethoxybenzoyl)oxy]methyl}-1,2-dihydro-2,5-epoxyakuammilan-17-oat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 676.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 363.0±31.5 °C
Index of Refraction: 1.660
Molar Refractivity: 140.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.72
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 969.06
ACD/KOC (pH 5.5): 4751.60
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 987.76
ACD/KOC (pH 7.4): 4843.28
Polar Surface Area: 96 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 64.3±5.0 dyne/cm
Molar Volume: 381.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement