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Acridinium C2 NHS Ester

CAT: 0024-sc-207258Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-207258Size:5 mg
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CAS Number
177332-37-5

Chemical Information

Acridinium C2 NHS Ester
CAS Number177332-37-5
PubChem CID46780081
IUPAC Name[4-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]phenyl] 10-methylacridin-10-ium-9-carboxylate;trifluoromethanesulfonate
Molecular FormulaC29H23F3N2O9S
Molecular Weight632.6
Topological Polar Surface Area159
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Heavy Atom Count44
Formal Charge0
Complexity958
SMILES
C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=O)OC4=CC=C(C=C4)CCC(=O)ON5C(=O)CCC5=O.C(F)(F)(F)S(=O)(=O)[O-]
InChI
InChI=1S/C28H23N2O6.CHF3O3S/c1-29-22-8-4-2-6-20(22)27(21-7-3-5-9-23(21)29)28(34)35-19-13-10-18(11-14-19)12-17-26(33)36-30-24(31)15-16-25(30)32;2-1(3,4)8(5,6)7/h2-11,13-14H,12,15-17H2,1H3;(H,5,6,7)/q+1;/p-1
InChIKey
NFDRKKHKYOEOLR-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Acridinium C2 NHS Ester
CAS: 177332-37-5
CID: 46780081
Formula: C29H23F3N2O9S
MW: 632.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight632.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Exact Mass632.10763598
Monoisotopic Mass632.10763598
Topological Polar Surface Area159 Ų
Heavy Atom Count44
Formal Charge0
Complexity958
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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sc-496797Methyltetrazine-NHS ester
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sc-496332ADMABA NHS Ester
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sc-496410Azido-PEG5-NHS ester

Alternative Products

CatalogName
TRC-A190925-10MGAcridinium C2 NHS Ester
ADI-906-000-1Acridinium C2, NHS Ester
ADI-906-001Acridinium Ester, (trigger solution)
26000-AATLumiwox™ acridinium NHS ester
TRC-D290700-10MGDesmethyl Acridinium C2 NHS Ester
258978-01Acridinium C2 N-hydroxysuccinimide ester
TRC-A190925-25MGAcridinium C2 NHS Ester (>90%)
STN-NA114-1mgStreptavidin Protein-Acridinium ester (MALS verified)
AMG-S163-100ugAnti-Mouse IgG-Acridinium ester (MALS verified)
AHG-Y69-100ugAnti-Human IgG Antibody-Acridinium ester (MALS verified)

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