ChemSpider 2D Image | N-{2-[4-Hydroxy-3-(~125~I)iodophenyl]ethyl}-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide | C18H24125IN3O3S

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

  • Molecular FormulaC18H24125IN3O3S
  • Average mass487.371 Da
  • Monoisotopic mass487.058472 Da
  • ChemSpider ID75713
  • defined stereocentres - 3 of 3 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-[4-hydroxy-3-(iodo-125I)phenyl]ethyl]-2-oxo-, (3aS,4S,6aR)- [ACD/Index Name]
N-{2-[4-Hydroxy-3-(125I)iodophenyl]ethyl}-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide [ACD/IUPAC Name]
N-{2-[4-Hydroxy-3-(125I)iodophényl]éthyl}-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thiéno[3,4-d]imidazol-4-yl]pentanamide [French] [ACD/IUPAC Name]
N-{2-[4-Hydroxy-3-(125I)iodphenyl]ethyl}-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamid [German] [ACD/IUPAC Name]
112242-36-1 [RN]
1H-Thieno(3,4-d)imidazole-4-pentanamide, hexahydro-N-(2-(4-hydroxy-3-(iodo-125I)phenyl)ethyl)-2-oxo-, (3aS-(3aα,4β,6aα))-
Biotinylmonoiodotyramine
N-(4-Hydroxy-3-iodophenylethyl)biotin amide
N-(β-(4-Hydroxy-3-iodophenyl)ethyl)biotinamide
N-[2-(4-HYDROXY-3-IODOPHENYL)ETHYL]-5-[(3AR,4S,6AS)-2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL]PENTANAMIDE
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.618
Molar Refractivity: 111.5±0.3 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: 44.2±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 318.2±3.0 cm3

Click to predict properties on the Chemicalize site






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