ChemSpider 2D Image | (3xi,16beta,17alpha,20alpha)-N-{2-[4-Amino-3-(~125~I)iodophenyl]ethyl}-17-hydroxyyohimban-16-carboxamide | C28H33125IN4O2

(3ξ,16β,17α,20α)-N-{2-[4-Amino-3-(125I)iodophenyl]ethyl}-17-hydroxyyohimban-16-carboxamide

  • Molecular FormulaC28H33125IN4O2
  • Average mass582.492 Da
  • Monoisotopic mass582.164978 Da
  • ChemSpider ID113604
  • defined stereocentres - 4 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(3ξ,16β,17α,20α)-N-{2-[4-Amino-3-(125I)iodophenyl]ethyl}-17-hydroxyyohimban-16-carboxamide [ACD/IUPAC Name]
(3ξ,16β,17α,20α)-N-{2-[4-Amino-3-(125I)iodophényl]éthyl}-17-hydroxyyohimban-16-carboxamide [French] [ACD/IUPAC Name]
(3ξ,16β,17α,20α)-N-{2-[4-Amino-3-(125I)iodphenyl]ethyl}-17-hydroxyjohimban-16-carboxamid [German] [ACD/IUPAC Name]
Yohimban-16-carboxamide, N-[2-[4-amino-3-(iodo-125I)phenyl]ethyl]-17-hydroxy-, (3ξ,16β,17α,20α)- [ACD/Index Name]
102606-26-8 [RN]
17-Hydroxy-20-yohimban-16-(N-4-amino-3-iodophenethyl)carboxamide
I-Rau-papc
Yohimban-16-carboxamide, N-(2-(4-amino-3-(iodo-125I)phenyl)ethyl)-17-hydroxy-, (16β,17α,20α)-

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.733
Molar Refractivity: 147.3±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: 58.4±0.5 10-24cm3
Surface Tension: 75.3±5.0 dyne/cm
Molar Volume: 367.6±5.0 cm3

Click to predict properties on the Chemicalize site






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