ChemSpider 2D Image | (3alpha,16alpha)-Eburnamenin-14-ylmethyl 3,4,5-trimethoxybenzoate | C30H34N2O5

(3α,16α)-Eburnamenin-14-ylmethyl 3,4,5-trimethoxybenzoate

  • Molecular FormulaC30H34N2O5
  • Average mass502.601 Da
  • Monoisotopic mass502.246765 Da
  • ChemSpider ID151969

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3α,16α)-Eburnamenin-14-ylmethyl 3,4,5-trimethoxybenzoate [ACD/IUPAC Name]
(3α,16α)-Eburnamenin-14-ylmethyl-3,4,5-trimethoxybenzoat [German] [ACD/IUPAC Name]
3,4,5-Triméthoxybenzoate de (3α,16α)-eburnamenin-14-ylméthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3,4,5-trimethoxy-, (3α,16α)-eburnamenin-14-ylmethyl ester [ACD/Index Name]
17,18-Dehydroapovincaminol-3',4',5'-trimethoxybenzoate
79720-73-3 [RN]
Eburnamenine-14-methanol, 3,4,5-trimethoxybenzoate (ester), (3α,16α)-

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

Rgh 4417 [DBID]
Rgh-4417 [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: 543.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.2±3.0 kJ/mol
Flash Point: 282.5±27.9 °C
Index of Refraction: 1.634
Molar Refractivity: 139.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.51
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 32.23
ACD/KOC (pH 5.5): 81.67
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 1626.79
ACD/KOC (pH 7.4): 4122.48
Polar Surface Area: 62 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 46.4±7.0 dyne/cm
Molar Volume: 390.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement