ChemSpider 2D Image | UNII:M94R1PM439 | C28H34O8S2

UNII:M94R1PM439

  • Molecular FormulaC28H34O8S2
  • Average mass562.695 Da
  • Monoisotopic mass562.169495 Da
  • ChemSpider ID4944278

  • Double-bond stereo - Double-bond stereo

More details:

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

[(3E)-3-(4-{(Z)-[7,7-Dimethyl-3-oxo-4-(sulfomethyl)bicyclo[2.2.1]hept-2-yliden]methyl}benzyliden)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methansulfonsäure [German] [ACD/IUPAC Name]
[(3E)-3-(4-{(Z)-[7,7-Dimethyl-3-oxo-4-(sulfomethyl)bicyclo[2.2.1]hept-2-ylidene]methyl}benzylidene)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methanesulfonic acid [ACD/IUPAC Name]
Acide [(3E)-3-(4-{(Z)-[7,7-diméthyl-3-oxo-4-(sulfométhyl)bicyclo[2.2.1]hept-2-ylidène]méthyl}benzylidène)-7,7-diméthyl-2-oxobicyclo[2.2.1]hept-1-yl]méthanesulfonique [French] [ACD/IUPAC Name]
Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 3-[[4-[(E)-[7,7-dimethyl-3-oxo-4-(sulfomethyl)bicyclo[2.2.1]hept-2-ylidene]methyl]phenyl]methylene]-7,7-dimethyl-2-oxo-, (3Z)- [ACD/Index Name]
UNII:M94R1PM439
(3E)-3-[[4-[(Z)-[7,7-DIMETHYL-3-OXO-4-(SULFOMETHYL)NORBORNAN-2-YLIDEN E]METHYL]PHENYL]METHYLIDENE]-7,7-DIMETHYL-2-OXO-NORBORNAN-1-YL]METHANE SULFONIC ACID
[(3E)-3-[(4-{[(2Z)-7,7-DIMETHYL-3-OXO-4-(SULFOMETHYL)BICYCLO[2.2.1]HEPTAN-2-YLIDENE]METHYL}PHENYL)METHYLIDENE]-7,7-DIMETHYL-2-OXOBICYCLO[2.2.1]HEPTAN-1-YL]METHANESULFONIC ACID
3,3'-(1,4-Phenylenedimethylidyne)bis(7,7-dimethyl-2-oxobicyclo(2.2.1)heptane-1-methanesulfonic acid)
6-sulfanylidene-1H-pyridine-3-carboxylic acid
90457-82-2 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.631
Molar Refractivity: 140.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.35
ACD/LogD (pH 5.5): -4.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 160 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 64.1±3.0 dyne/cm
Molar Volume: 395.1±3.0 cm3

Click to predict properties on the Chemicalize site


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