ChemSpider 2D Image | (5Z)-7-[(1R,2R,3R,4S)-3-({[4-Hydroxy-3-(~125~I)iodophenyl]sulfonyl}amino)bicyclo[2.2.1]hept-2-yl]-5-heptenoic acid | C20H26125INO5S

(5Z)-7-[(1R,2R,3R,4S)-3-({[4-Hydroxy-3-(125I)iodophenyl]sulfonyl}amino)bicyclo[2.2.1]hept-2-yl]-5-heptenoic acid

  • Molecular FormulaC20H26125INO5S
  • Average mass517.394 Da
  • Monoisotopic mass517.057800 Da
  • ChemSpider ID4947956

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(5Z)-7-[(1R,2R,3R,4S)-3-({[4-Hydroxy-3-(125I)iodophenyl]sulfonyl}amino)bicyclo[2.2.1]hept-2-yl]-5-heptenoic acid [ACD/IUPAC Name]
(5Z)-7-[(1R,2R,3R,4S)-3-({[4-Hydroxy-3-(125I)iodphenyl]sulfonyl}amino)bicyclo[2.2.1]hept-2-yl]-5-heptensäure [German] [ACD/IUPAC Name]
5-Heptenoic acid, 7-[(1R,2R,3R,4S)-3-[[[4-hydroxy-3-(iodo-125I)phenyl]sulfonyl]amino]bicyclo[2.2.1]hept-2-yl]-, (5Z)- [ACD/Index Name]
Acide (5Z)-7-[(1R,2R,3R,4S)-3-({[4-hydroxy-3-(125I)iodophényl]sulfonyl}amino)bicyclo[2.2.1]hept-2-yl]-5-hepténoïque [French] [ACD/IUPAC Name]
130940-73-7 [RN]
7-(3-Iodo-4-hydroxyphenylsulfonylamino(2.2.1)-bicyclohept-2-yl)heptenoic acid
I-S-145-OH

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.658
Molar Refractivity: 115.9±0.4 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: 45.9±0.5 10-24cm3
Surface Tension: 68.1±5.0 dyne/cm
Molar Volume: 314.8±5.0 cm3

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