QSY9 succinimidyl ester

Molecular FormulaC₄₃H₃₉ClN₄O₁₃S₃
Average mass951.437 Da
Monoisotopic mass950.136414 Da
ChemSpider ID21866030

More details:

Names and Synonyms

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

Benzenesulfonate, 4-[[(3E)-9-[2-[[4-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]-1-piperidinyl]sulfonyl]phenyl]-6-[methyl(4-sulfonatophenyl)amino]-3H-xanthen-3-ylidene]methylammonio]-, chloride, inner sa lt, dihydrogen salt (1:1) [ACD/Index Name]

Chlorure 4-[{(3E)-9-{2-[(4-{[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl}-1-pipéridinyl)sulfonyl]phényl}-6-[méthyl(4-sulfonatophényl)amino]-3H-xanthén-3-ylidène}(méthyl)ammonio]benzènesulfonate de hydrogèn e (1:1:2) [French] [ACD/IUPAC Name]

Hydrogen chloride 4-[{(3E)-9-{2-[(4-{[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl}-1-piperidinyl)sulfonyl]phenyl}-6-[methyl(4-sulfonatophenyl)amino]-3H-xanthen-3-ylidene}(methyl)ammonio]benzenesulfonate (2 :1:1) [ACD/IUPAC Name]

Hydrogenchlorid-4-[{(3E)-9-{2-[(4-{[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl}-1-piperidinyl)sulfonyl]phenyl}-6-[methyl(4-sulfonatophenyl)amino]-3H-xanthen-3-yliden}(methyl)ammonio]benzolsulfonat (2:1:1) [German] [ACD/IUPAC Name]

QSY9 succinimidyl ester

benzenesulfonate, 4-[[(3E)-9-[2-[[4-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]-1-piperidinyl]sulfonyl]phenyl]-6-[methyl(4-sulfonatophenyl)amino]-3H-xanthen-3-ylidene]methylammonio]-, chloride, inner salt, dihydrogen salt (1:1)

hydrogen chloride 4-[{(3E)-9-{2-[(4-{[(2,5-dioxopyrrolidin-1-yl)oxy]carbonyl}piperidin-1-yl)sulfonyl]phenyl}-6-[methyl(4-sulfonatophenyl)amino]-3H-xanthen-3-ylidene}(methyl)ammonio]benzenesulfonate (2:1:1)

N-(9-{2-[(4-{[(2,5-dioxopyrrolidin-1-yl)oxy]carbonyl}piperidin-1-yl)sulfonyl]phenyl}-6-[methyl(4-sulfophenyl)amino]-3H-xanthen-3-ylidene)-N-methyl-4-sulfoanilinium chloride

QSY 9

Predicted - ACD/Labs
Predicted - ChemAxon

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

No predicted properties have been calculated for this compound.

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#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:
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site

Patents	Personal Collections
Publication or Magazine Article	Web-based Article (blog or commentary)
Available Chemicals Databases	Biological Properties
Chemical Reactions	Chemical Safety Data
Drugs or Compounds in Development	Imaging Agents
Information Aggregators	Journal Publishers via MeSH
Ligand/binding/crystal Structure Databases	Metabolic Pathways
Molecular Libraries Screening Center Network	Natural Products
NIH Substance Repository	Physical Properties (including SAR/QSAR databases)
Protein 3D Structures	Spectroscopy Databases
Substance Vendors	Theoretical Properties
Toxicology/Environmental Databases	Virtual Library

QSY9 succinimidyl ester

More details:

Search ChemSpider:

Search Google: