ChemSpider 2D Image | (1E)-3-({(1S)-1-Carboxy-2-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]ethyl}amino)-2-diazonio-1-ethoxy-3-oxo-1-propen-1-olate | C20H15I4N3O7

(1E)-3-({(1S)-1-Carboxy-2-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]ethyl}amino)-2-diazonio-1-ethoxy-3-oxo-1-propen-1-olate

  • Molecular FormulaC20H15I4N3O7
  • Average mass916.967 Da
  • Monoisotopic mass916.708862 Da
  • ChemSpider ID4589467
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(1E)-3-({(1S)-1-Carboxy-2-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]ethyl}amino)-2-diazonio-1-ethoxy-3-oxo-1-propen-1-olate [ACD/IUPAC Name]
(1E)-3-({(1S)-1-Carboxy-2-[4-(4-hydroxy-3,5-diiodophénoxy)-3,5-diiodophényl]éthyl}amino)-2-diazonio-1-éthoxy-3-oxo-1-propén-1-olate [French] [ACD/IUPAC Name]
(1E)-3-({(1S)-1-Carboxy-2-[4-(4-hydroxy-3,5-diiodphenoxy)-3,5-diiodphenyl]ethyl}amino)-2-diazonio-1-ethoxy-3-oxo-1-propen-1-olat [German] [ACD/IUPAC Name]
1-Propene-2-diazonium, 3-[[(1S)-1-carboxy-2-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]ethyl]amino]-1-ethoxy-1-hydroxy-3-oxo-, inner salt, (1E)- [ACD/Index Name]
83181-47-9 [RN]
Edm-T4
L-Tyrosine, N-(2-diazo-3-ethoxy-1,3-dioxopropyl)-O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo- [ACD/Index Name]
N-(Ethyl-2-diazomalonyl)thyroxine

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

Density:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 10
#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: 156 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






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