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Chemical structure of 800CW NHS ester

GC76177

800CW NHS ester

Also known as trisodium;(2Z)-2-[(2Z)-2-[3-[(Z)-2-[1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]ethenyl]-2-(4-sulfonatophenoxy)cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate

800CW NHS ester is a near infrared probe that can be used for labeling lysine residues (λmax=776 nm)

ChemicalCAS956579-01-4MW1166.2FormulaC50H54N3Na3O17S4
CAS number
956579-01-4
Molecular weight
1166.2
Formula
C50H54N3Na3O17S4
InChIKey
PBPMREYPAOZRBU-UHFFFAOYSA-K
Catalogue number
GC76177
Brand
GLPBIO
Computed properties PubChem CID 168434453 · TPSA 341 Ų · H-bond donors 0 · H-bond acceptors 18
TPSA
341 Ų
H-bond donors
0
H-bond acceptors
18
Rotatable bonds
17
Heavy atoms
77

SMILES CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1/C=C\C3=C(/C(=C\C=C/4\C(C5=C(N4CCCCS(=O)(=O)[O-])C=CC(=C5)S(=O)(=O)[O-])(C)C)/CCC3)OC6=CC=C(C=C6)S(=O)(=O)[O-])CCCCCC(=O)ON7C(=O)CCC7=O)C.[Na+].[Na+].[Na+]

Computed descriptors from PubChem (CID 168434453), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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