ChemSpider 2D Image | 4-(2-{(1E,3Z)-3-[3,3-Dimethyl-1-(4-sulfobutyl)-1,3-dihydro-2H-indol-2-ylidene]-1-propen-1-yl}-3,3-dimethyl-3H-indolium-1-yl)-1-butanesulfonate | C31H40N2O6S2

4-(2-{(1E,3Z)-3-[3,3-Dimethyl-1-(4-sulfobutyl)-1,3-dihydro-2H-indol-2-ylidene]-1-propen-1-yl}-3,3-dimethyl-3H-indolium-1-yl)-1-butanesulfonate

  • Molecular FormulaC31H40N2O6S2
  • Average mass600.789 Da
  • Monoisotopic mass600.232788 Da
  • ChemSpider ID4954638

More details:

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

3H-Indolium, 2-[(1E,3Z)-3-[1,3-dihydro-3,3-dimethyl-1-(4-sulfobutyl)-2H-indol-2-ylidene]-1-propen-1-yl]-3,3-dimethyl-1-(4-sulfobutyl)-, inner salt [ACD/Index Name]
4-(2-{(1E,3Z)-3-[3,3-Dimethyl-1-(4-sulfobutyl)-1,3-dihydro-2H-indol-2-yliden]-1-propen-1-yl}-3,3-dimethyl-3H-indolium-1-yl)-1-butansulfonat [German] [ACD/IUPAC Name]
4-(2-{(1E,3Z)-3-[3,3-Dimethyl-1-(4-sulfobutyl)-1,3-dihydro-2H-indol-2-ylidene]-1-propen-1-yl}-3,3-dimethyl-3H-indolium-1-yl)-1-butanesulfonate [ACD/IUPAC Name]
4-(2-{(1E,3Z)-3-[3,3-Diméthyl-1-(4-sulfobutyl)-1,3-dihydro-2H-indol-2-ylidène]-1-propén-1-yl}-3,3-diméthyl-3H-indolium-1-yl)-1-butanesulfonate [French] [ACD/IUPAC Name]
3H-Indolium, 2-(3-(1,3-dihydro-3,3-dimethyl-1-(4-sulfobutyl)-2H-indol-2-ylidene)-1-propenyl)-3,3-dimethyl-1-(4-sulfobutyl)-, inner salt
50354-01-3 [RN]
Indomonocarbocyanine
Indomonocarbocyanine Pyridine Salt

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

Density:
Boiling Point:
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Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 12
#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: 135 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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