ChemSpider 2D Image | Alexa Fluor 568 para-isomer | C37H33N3O13S2

Alexa Fluor 568 para-isomer

  • Molecular FormulaC37H33N3O13S2
  • Average mass791.800 Da
  • Monoisotopic mass791.145508 Da
  • ChemSpider ID21865915

More details:

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

[6-(2-Carboxy-5-{[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl}phenyl)-2,2,10,10-tetramethyl-8-(sulfomethyl)-10,11-dihydro-2H-pyrido[3',2':6,7]chromeno[3,2-g]chinolin-1-ium-4-yl]methansulfonat [German] [ACD/IUPAC Name]
[6-(2-Carboxy-5-{[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl}phényl)-2,2,10,10-tétraméthyl-8-(sulfométhyl)-10,11-dihydro-2H-pyrido[3',2':6,7]chroméno[3,2-g]quinoléin-1-ium-4-yl]méthanesulfonate [French] [ACD/IUPAC Name]
[6-(2-Carboxy-5-{[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl}phenyl)-2,2,10,10-tetramethyl-8-(sulfomethyl)-10,11-dihydro-2H-pyrido[3',2':6,7]chromeno[3,2-g]quinolin-1-ium-4-yl]methanesulfonate [ACD/IUPAC Name]
Alexa Fluor 568 para-isomer
Benzoic acid, 2-[1,10-dihydro-2,2,10,10-tetramethyl-4,8-bis(sulfomethyl)-2H-pyrano[3,2-g:5,6-g']diquinolin-6-yl]-4-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]- [ACD/Index Name]
[6-(2-carboxy-5-{[(2,5-dioxopyrrolidin-1-yl)oxy]carbonyl}phenyl)-2,2,10,10-tetramethyl-8-(sulfomethyl)-10,11-dihydro-2H-pyrano[3,2-g:5,6-g']diquinolin-1-ium-4-yl]methanesulfonate
Alexa Fluor 568 meta-isomer

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: 16
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -0.06
ACD/LogD (pH 5.5): -4.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 265 Å2
Polarizability:
Surface Tension:
Molar Volume:

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