ChemSpider 2D Image | MFCD20524891 | C2013CH23D3N2O3

MFCD20524891

  • Molecular FormulaC2013CH23D3N2O3
  • Average mass358.454 Da
  • Monoisotopic mass358.216522 Da
  • ChemSpider ID49072131

  • 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

(13C,2H3)Methyl (16α,17α)-17-hydroxyyohimban-16-carboxylate [ACD/IUPAC Name]
(13C,2H3)Methyl-(16α,17α)-17-hydroxyjohimban-16-carboxylat [German] [ACD/IUPAC Name]
(16α,17α)-17-Hydroxyyohimban-16-carboxylate de (13C,2H3)méthyle [French] [ACD/IUPAC Name]
1261254-59-4 [RN]
MFCD20524891
Yohimban-16-carboxylic acid, 17-hydroxy-, methyl-13C-d3 ester, (16α,17α)- [ACD/Index Name]
Yohimbine-(methyl-13C,d3 ester)

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.661
Molar Refractivity: 99.5±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 63.3±5.0 dyne/cm
Molar Volume: 269.1±5.0 cm3

Click to predict properties on the Chemicalize site


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