ChemSpider 2D Image | (3E)-9-{2-[(4-{[(2,5-Dioxo-1-pyrrolidinyl)oxy]carbonyl}-1-piperidinyl)sulfonyl]phenyl}-N-methyl-6-[methyl(phenyl)amino]-N-phenyl-3H-xanthen-3-iminium | C43H39N4O7S

(3E)-9-{2-[(4-{[(2,5-Dioxo-1-pyrrolidinyl)oxy]carbonyl}-1-piperidinyl)sulfonyl]phenyl}-N-methyl-6-[methyl(phenyl)amino]-N-phenyl-3H-xanthen-3-iminium

  • Molecular FormulaC43H39N4O7S
  • Average mass755.857 Da
  • Monoisotopic mass755.253418 Da
  • ChemSpider ID8116202

  • Charge - Charge

More details:

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

(3E)-9-{2-[(4-{[(2,5-Dioxo-1-pyrrolidinyl)oxy]carbonyl}-1-piperidinyl)sulfonyl]phenyl}-N-methyl-6-[methyl(phenyl)amino]-N-phenyl-3H-xanthen-3-iminium [German] [ACD/IUPAC Name]
(3E)-9-{2-[(4-{[(2,5-Dioxo-1-pyrrolidinyl)oxy]carbonyl}-1-piperidinyl)sulfonyl]phenyl}-N-methyl-6-[methyl(phenyl)amino]-N-phenyl-3H-xanthen-3-iminium [ACD/IUPAC Name]
(3E)-9-{2-[(4-{[(2,5-Dioxo-1-pyrrolidinyl)oxy]carbonyl}-1-pipéridinyl)sulfonyl]phényl}-N-méthyl-6-[méthyl(phényl)amino]-N-phényl-3H-xanthén-3-iminium [French] [ACD/IUPAC Name]
Benzenaminium, N-[(3E)-9-[2-[[4-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]-1-piperidinyl]sulfonyl]phenyl]-6-(methylphenylamino)-3H-xanthen-3-ylidene]-N-methyl- [ACD/Index Name]
N-(9-{2-[(4-{[(2,5-dioxopyrrolidin-1-yl)oxy]carbonyl}piperidin-1-yl)sulfonyl]phenyl}-6-[methyl(phenyl)amino]-3H-xanthen-3-ylidene)-N-methylanilinium
QSY7 succinimidyl ester(1+)

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

8889942 [DBID]

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: 11
#H bond donors: 0
#Freely Rotating Bonds: 9
#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: 125 Å2
Polarizability:
Surface Tension:
Molar Volume:

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