ChemSpider 2D Image | betulin dinicotinate | C42H56N2O4

betulin dinicotinate

  • Molecular FormulaC42H56N2O4
  • Average mass652.905 Da
  • Monoisotopic mass652.424011 Da
  • ChemSpider ID425216

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β)-Lup-20(29)-en-3,28-diyl-dinicotinat [German] [ACD/IUPAC Name]
(3β)-Lup-20(29)-ene-3,28-diyl dinicotinate [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, (3β)-lup-20(29)-ene-3,28-diyl ester [ACD/Index Name]
473806-27-8 [RN]
betulin dinicotinate
Dinicotinate de (3β)-lup-20(29)-ène-3,28-diyle [French] [ACD/IUPAC Name]
Lup-20(29)-ene-3,28-diol, 3,28-di-3-pyridinecarboxylate, (3β)-
3-Pyridinecarboxylic acid, (3β)-lup-20(29)-ene-3,28-diyl ester

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

AIDS106634 [DBID]
AIDS-106634 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 683.3±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 367.0±24.6 °C
Index of Refraction: 1.579
Molar Refractivity: 188.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 12.21
ACD/LogD (pH 5.5): 10.99
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.00
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 78 Å2
Polarizability: 74.6±0.5 10-24cm3
Surface Tension: 50.5±5.0 dyne/cm
Molar Volume: 566.0±5.0 cm3

Click to predict properties on the Chemicalize site


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