ChemSpider 2D Image | (~3~H_1_)Methyl (16beta,17alpha,20alpha)-17-hydroxyyohimban-16-carboxylate | C21H25TN2O3

(3H1)Methyl (16β,17α,20α)-17-hydroxyyohimban-16-carboxylate

  • Molecular FormulaC21H25TN2O3
  • Average mass356.451 Da
  • Monoisotopic mass356.202576 Da
  • ChemSpider ID559233
  • defined stereocentres - 5 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3H1)Methyl (16β,17α,20α)-17-hydroxyyohimban-16-carboxylate [ACD/IUPAC Name]
(3H1)Methyl-(16β,17α,20α)-17-hydroxyjohimban-16-carboxylat [German] [ACD/IUPAC Name]
(16β,17α,20α)-17-Hydroxyyohimban-16-carboxylate de (3H1)méthyle [French] [ACD/IUPAC Name]
Yohimban-16-carboxylic acid, 17-hydroxy-, methyl-t ester, (16β,17α,20α)- [ACD/Index Name]
[methyl-3H] Corynanthidine
[methyl-3H] Isoyohimbine
[methyl-3H] meso-Yohimbine
[methyl-3H] Mesoyohimbine
[methyl-3H] α-yohimbine
182509-57-5 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Boiling Point: 543.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.4±3.0 kJ/mol
Flash Point: 282.2±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.20
ACD/LogD (pH 5.5): -0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.27
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 4.97
ACD/KOC (pH 7.4): 51.76
Polar Surface Area: 66 Å2
Surface Tension:
Molar Volume:

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