ChemSpider 2D Image | lorajmine | C22H27ClN2O3

lorajmine

  • Molecular FormulaC22H27ClN2O3
  • Average mass402.914 Da
  • Monoisotopic mass402.171021 Da
  • ChemSpider ID34990507

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(17R,21α)-21-Hydroxyajmalan-17-yl chloroacetate [ACD/IUPAC Name]
(17R,21α)-21-Hydroxyajmalan-17-yl-chloracetat [German] [ACD/IUPAC Name]
256-322-9 [EINECS]
47562-08-3 [RN]
Acetic acid, 2-chloro-, (17R,21α)-21-hydroxyajmalan-17-yl ester [ACD/Index Name]
Chloroacétate de (17R,21α)-21-hydroxyajmalan-17-yle [French] [ACD/IUPAC Name]
lorajmine [Wiki]

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

3889 [DBID]
F96VX65849 [DBID]
UNII:F96VX65849 [DBID]
UNII-F96VX65849 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 545.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 283.4±30.1 °C
Index of Refraction: 1.664
Molar Refractivity: 106.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.83
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 2.29
ACD/KOC (pH 5.5): 27.91
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 32.90
ACD/KOC (pH 7.4): 401.96
Polar Surface Area: 53 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 63.3±5.0 dyne/cm
Molar Volume: 287.1±5.0 cm3

Click to predict properties on the Chemicalize site


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