ChemSpider 2D Image | (17R,21alpha)-21-Hydroxyajmalan-4-ium-17-yl acetate | C22H29N2O3

(17R,21α)-21-Hydroxyajmalan-4-ium-17-yl acetate

  • Molecular FormulaC22H29N2O3
  • Average mass369.477 Da
  • Monoisotopic mass369.217255 Da
  • ChemSpider ID26331296

  • Charge - Charge

    defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(17R,21α)-21-Hydroxyajmalan-4-ium-17-yl acetate [ACD/IUPAC Name]
(17R,21α)-21-Hydroxyajmalan-4-ium-17-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (17R,21α)-21-hydroxyajmalan-4-ium-17-yle [French] [ACD/IUPAC Name]
Ajmalan-17,21-diol, 17-acetate, conjugate monoacid, (17R,21α)- [ACD/Index Name]
17-O-acetylajmaline
17-O-acetylajmalinium

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

Density:
Boiling Point: 510.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.3±3.0 kJ/mol
Flash Point: 262.7±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.60
ACD/LogD (pH 5.5): 0.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.84
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 12.81
ACD/KOC (pH 7.4): 185.98
Polar Surface Area: 54 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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