ChemSpider 2D Image | 2-({(E)-[(3E,11beta)-11,21-Dihydroxy-18,20-dioxopregn-4-en-3-ylidene]amino}oxy)-N-{2-[4-(~125~I)iodo-1H-imidazol-5-yl]ethyl}acetamide | C28H37125IN4O6

2-({(E)-[(3E,11β)-11,21-Dihydroxy-18,20-dioxopregn-4-en-3-ylidene]amino}oxy)-N-{2-[4-(125I)iodo-1H-imidazol-5-yl]ethyl}acetamide

  • Molecular FormulaC28H37125IN4O6
  • Average mass650.521 Da
  • Monoisotopic mass650.175964 Da
  • ChemSpider ID115284927

  • defined stereocentres - 7 of 7 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

2-({(E)-[(3E,11β)-11,21-Dihydroxy-18,20-dioxopregn-4-en-3-yliden]amino}oxy)-N-{2-[4-(125I)iod-1H-imidazol-5-yl]ethyl}acetamid [German] [ACD/IUPAC Name]
2-({(E)-[(3E,11β)-11,21-Dihydroxy-18,20-dioxopregn-4-en-3-ylidene]amino}oxy)-N-{2-[4-(125I)iodo-1H-imidazol-5-yl]ethyl}acetamide [ACD/IUPAC Name]
2-({(E)-[(3E,11β)-11,21-Dihydroxy-18,20-dioxoprégn-4-én-3-ylidène]amino}oxy)-N-{2-[4-(125I)iodo-1H-imidazol-5-yl]éthyl}acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[[(3E,11β)-11,21-dihydroxy-18,20-dioxopregn-4-en-3-ylidene]amino]oxy]-N-[2-[4-(iodo-125I)-1H-imidazol-5-yl]ethyl]- [ACD/Index Name]
2-[(Z)-[(8S,9S,10R,11S,13R,14S,17S)-13-formyl-11-hydroxy-17-(2-hydroxyacetyl)-10-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxy-N-[2-(4-(125I)iodanyl-1H-imidazol-5-yl)ethyl]acetamide
87002-37-7 [RN]
Aldosterone-3-(O-carboxymethyl)oximino-(2-iodohistamine)

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: 1.723
Molar Refractivity: 150.2±0.5 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: 59.6±0.5 10-24cm3
Surface Tension: 64.1±7.0 dyne/cm
Molar Volume: 379.2±7.0 cm3

Click to predict properties on the Chemicalize site


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