ChemSpider 2D Image | (5E)-7-(3-{[3-(4-Azido-3-iodophenyl)-2-hydroxypropyl]amino}-6,6-dimethylbicyclo[3.1.1]hept-2-yl)-5-heptenoic acid | C25H35IN4O3

(5E)-7-(3-{[3-(4-Azido-3-iodophenyl)-2-hydroxypropyl]amino}-6,6-dimethylbicyclo[3.1.1]hept-2-yl)-5-heptenoic acid

  • Molecular FormulaC25H35IN4O3
  • Average mass566.475 Da
  • Monoisotopic mass566.175354 Da
  • ChemSpider ID4943535

  • Double-bond stereo - Double-bond stereo

More details:

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

(5E)-7-(3-{[3-(4-Azido-3-iodophenyl)-2-hydroxypropyl]amino}-6,6-dimethylbicyclo[3.1.1]hept-2-yl)-5-heptenoic acid [ACD/IUPAC Name]
(5E)-7-(3-{[3-(4-Azido-3-iodphenyl)-2-hydroxypropyl]amino}-6,6-dimethylbicyclo[3.1.1]hept-2-yl)-5-heptensäure [German] [ACD/IUPAC Name]
5-Heptenoic acid, 7-[3-[[3-(4-azido-3-iodophenyl)-2-hydroxypropyl]amino]-6,6-dimethylbicyclo[3.1.1]hept-2-yl]-, (5E)- [ACD/Index Name]
Acide (5E)-7-(3-{[3-(4-azido-3-iodophényl)-2-hydroxypropyl]amino}-6,6-diméthylbicyclo[3.1.1]hept-2-yl)-5-hepténoïque [French] [ACD/IUPAC Name]
(5E)-7-(3-{[3-(4-AZIDO-3-IODOPHENYL)-2-HYDROXYPROPYL]AMINO}-6,6-DIMETHYLBICYCLO[3.1.1]HEPTAN-2-YL)HEPT-5-ENOIC ACID
121951-69-7 [RN]
5-Heptenoic acid, 7-(3-((3-(4-azido-3-iodophenyl)-2-hydroxypropyl)amino)-6,6-dimethylbicyclo(3.1.1)hept-2-yl)-
9,11-Dimethylmethano-11,12-methano-16-(3-iodo-4-azidophenyl)-13,14-dihydro-13-aza-15-tetranorthromboxane A2
I-Pta-azido

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

Density:
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Enthalpy of Vaporization:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.99
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 44.29
ACD/KOC (pH 5.5): 98.90
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 49.55
ACD/KOC (pH 7.4): 110.64
Polar Surface Area: 82 Å2
Polarizability:
Surface Tension:
Molar Volume:

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