ChemSpider 2D Image | 7-(6,6-dimethyl-3-(4-azido-3-iodobenzenesulfonylamino)bicyclo(3.1.1)hept-2-yl)-5-heptenoic acid | C22H29IN4O4S

7-(6,6-dimethyl-3-(4-azido-3-iodobenzenesulfonylamino)bicyclo(3.1.1)hept-2-yl)-5-heptenoic acid

  • Molecular FormulaC22H29IN4O4S
  • Average mass572.459 Da
  • Monoisotopic mass572.095398 Da
  • ChemSpider ID4943762

  • Double-bond stereo - Double-bond stereo

More details:

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

(5E)-7-(3-{[(4-Azido-3-iodophenyl)sulfonyl]amino}-6,6-dimethylbicyclo[3.1.1]hept-2-yl)-5-heptenoic acid [ACD/IUPAC Name]
(5E)-7-(3-{[(4-Azido-3-iodphenyl)sulfonyl]amino}-6,6-dimethylbicyclo[3.1.1]hept-2-yl)-5-heptensäure [German] [ACD/IUPAC Name]
5-Heptenoic acid, 7-[3-[[(4-azido-3-iodophenyl)sulfonyl]amino]-6,6-dimethylbicyclo[3.1.1]hept-2-yl]-, (5E)- [ACD/Index Name]
7-(6,6-dimethyl-3-(4-azido-3-iodobenzenesulfonylamino)bicyclo(3.1.1)hept-2-yl)-5-heptenoic acid
Acide (5E)-7-(3-{[(4-azido-3-iodophényl)sulfonyl]amino}-6,6-diméthylbicyclo[3.1.1]hept-2-yl)-5-hepténoïque [French] [ACD/IUPAC Name]
(125I)Sap-N3
133190-94-0 [RN]
5-Heptenoic acid, 7-(3-(((4-azido-3-iodophenyl)sulfonyl)amino)-6,6-dimethylbicyclo(3.1.1)hept-2-yl)-, (IS-(1α,2β(Z),3α,5α))-
Isap-N3

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.25
ACD/LogD (pH 5.5): 5.58
ACD/BCF (pH 5.5): 6527.12
ACD/KOC (pH 5.5): 10996.21
ACD/LogD (pH 7.4): 3.78
ACD/BCF (pH 7.4): 104.29
ACD/KOC (pH 7.4): 175.70
Polar Surface Area: 104 Å2
Polarizability:
Surface Tension:
Molar Volume:

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