ChemSpider 2D Image | N-[2-({3-[4-Hydroxy-3-(~125~I)iodophenyl]propanoyl}amino)ethyl]-5-[(3aS,4S,6aR)-5-oxido-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide | C21H29125IN4O5S

N-[2-({3-[4-Hydroxy-3-(125I)iodophenyl]propanoyl}amino)ethyl]-5-[(3aS,4S,6aR)-5-oxido-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide

  • Molecular FormulaC21H29125IN4O5S
  • Average mass574.448 Da
  • Monoisotopic mass574.090515 Da
  • ChemSpider ID75725

  • defined stereocentres - 3 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

1H-Thieno[3,4-d]imidazole-4-pentanamide, hexahydro-N-[2-[[3-[4-hydroxy-3-(iodo-125I)phenyl]-1-oxopropyl]amino]ethyl]-2-oxo-, 5-oxide, (3aS,4S,6aR)- [ACD/Index Name]
N-[2-({3-[4-Hydroxy-3-(125I)iodophényl]propanoyl}amino)éthyl]-5-[(3aS,4S,6aR)-2-oxo-5-oxydohexahydro-1H-thiéno[3,4-d]imidazol-4-yl]pentanamide [French] [ACD/IUPAC Name]
N-[2-({3-[4-Hydroxy-3-(125I)iodophenyl]propanoyl}amino)ethyl]-5-[(3aS,4S,6aR)-5-oxido-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide [ACD/IUPAC Name]
N-[2-({3-[4-Hydroxy-3-(125I)iodphenyl]propanoyl}amino)ethyl]-5-[(3aS,4S,6aR)-5-oxido-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamid [German] [ACD/IUPAC Name]
(3aS-(3aα,4β,5α,6aα))-Hexahydro-N-(2-((3-(4-hydroxy-3-(iodo-125I)phenyl)-1-oxopropyl)amino)ethyl)-2-oxo-1H-thieno(3,4-d)imidazole-4-pentanamide 5-oxide
129244-73-1 [RN]
129312-14-7 [RN]
1H-Thieno(3,4-d)imidazole-4-pentanamide, hexahydro-N-(2-((3-(4-hydroxy-3-(iodo-125I)phenyl)-1-oxopropyl)amino)ethyl)-2-oxo-, 5-oxide, (3aS-(3aα,4β,5α,6aα))-
1H-Thieno(3,4-d)imidazole-4-pentanamide, hexahydro-N-(2-((3-(4-hydroxy-3-(iodo-125I)phenyl)-1-oxopropyl)amino)ethyl)-2-oxo-, 5-oxide, (3aS-(3aα,4β,5β,6aα))-
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.675
Molar Refractivity: 130.3±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: 51.7±0.5 10-24cm3
Surface Tension: 77.9±5.0 dyne/cm
Molar Volume: 346.8±5.0 cm3

Click to predict properties on the Chemicalize site


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