ChemSpider 2D Image | (2E)-3-(3-Carboxypropyl)-3-methyl-2-{(2E)-3-[11-(2-methyl-2-propanyl)-2,3,6,7-tetrahydro-1H,5H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-12-ium-9-yl]-2-propen-1-ylidene}-1-(3-sulfonatopropyl)-5-indolinesu lfonate | C38H45N2O9S2

(2E)-3-(3-Carboxypropyl)-3-methyl-2-{(2E)-3-[11-(2-methyl-2-propanyl)-2,3,6,7-tetrahydro-1H,5H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-12-ium-9-yl]-2-propen-1-ylidene}-1-(3-sulfonatopropyl)-5-indolinesu lfonate

  • Molecular FormulaC38H45N2O9S2
  • Average mass737.902 Da
  • Monoisotopic mass737.257202 Da
  • ChemSpider ID23089892

  • Charge - Charge

More details:

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

(2E)-3-(3-Carboxypropyl)-3-methyl-2-{(2E)-3-[11-(2-methyl-2-propanyl)-2,3,6,7-tetrahydro-1H,5H-pyrano[2,3-f]pyrido[3,2,1-ij]chinolin-12-ium-9-yl]-2-propen-1-yliden}-1-(3-sulfonatopropyl)-5-indolinsulf onat [German] [ACD/IUPAC Name]
(2E)-3-(3-Carboxypropyl)-3-méthyl-2-{(2E)-3-[11-(2-méthyl-2-propanyl)-2,3,6,7-tétrahydro-1H,5H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoléin-12-ium-9-yl]-2-propén-1-ylidène}-1-(3-sulfonatopropyl)-5-indolines ulfonate [French] [ACD/IUPAC Name]
(2E)-3-(3-Carboxypropyl)-3-methyl-2-{(2E)-3-[11-(2-methyl-2-propanyl)-2,3,6,7-tetrahydro-1H,5H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-12-ium-9-yl]-2-propen-1-ylidene}-1-(3-sulfonatopropyl)-5-indolinesu lfonate [ACD/IUPAC Name]
1H,5H-[1]Benzopyrano[6,7,8-ij]quinolizinium, 9-[(1E,3E)-3-[3-(3-carboxypropyl)-1,3-dihydro-3-methyl-5-sulfo-1-(3-sulfopropyl)-2H-indol-2-ylidene]-1-propen-1-yl]-11-(1,1-dimethylethyl)-2,3,6,7-tetrahyd ro-, inner salt, ion(1-) [ACD/Index Name]
2-[3-(11-tert-butyl-2,3,6,7-tetrahydro-1H,5H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-12-ium-9-yl)prop-2-en-1-ylidene]-3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate
DY-636(1-)
  • Miscellaneous

    • Chemical Class:

      An anionic C3 cyanine-type compound having indoleinine and tetrahydropyrano[2,3-f]pyrido[3,2,1-ij]quinoline substituents at either end. ChEBI CHEBI:52823

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: 11
#H bond donors: 3
#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: 188 Å2
Polarizability:
Surface Tension:
Molar Volume:

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