ChemSpider 2D Image | methyl (1S,15R,17R,18S,19R,20R)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-3,7,11,12,14,15,16,17,18,19,20,21-dodecahydro-1H-yohimban-19-carboxylate | C33H41N2O9

methyl (1S,15R,17R,18S,19R,20R)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-3,7,11,12,14,15,16,17,18,19,20,21-dodecahydro-1H-yohimban-19-carboxylate

  • Molecular FormulaC33H41N2O9
  • Average mass Da
  • Monoisotopic mass Da
  • ChemSpider ID113606416

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

Density:
Boiling Point: 722.2±70.0 °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: 390.6±35.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 5.92
ACD/KOC (pH 5.5): 33.48
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 9.45
ACD/KOC (pH 7.4): 53.42
Polar Surface Area: 102 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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