Cy5 NHS ester

C37H43N3O10S2CAS 146368-14-1753.88 g/mol

Open in Covalent MOL file
NN+OONOOSOOO−SOOOH
AlkeneAmideLactamSulfonic acidTertiary amine

Properties

Molecular formula
C37H43N3O10S2
Molar mass
753.88 g/mol
Exact mass
753.2390 Da
logP
5.20Crippen estimate
Polar surface area
181.5 Ų
H-bond donors / acceptors
1 / 10
Rotatable bonds
13

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
146368-14-1
SMILES
CCN1C(=CC=CC=CC2=[N+](CCCCCC(=O)ON3C(=O)CCC3=O)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21
InChIKey
WXWLHDCCGVWTDZ-UHFFFAOYSA-N
InChI
InChI=1S/C37H43N3O10S2/c1-6-38-29-18-16-25(51(44,45)46)23-27(29)36(2,3)31(38)13-9-7-10-14-32-37(4,5)28-24-26(52(47,48)49)17-19-30(28)39(32)22-12-8-11-15-35(43)50-40-33(41)20-21-34(40)42/h7,9-10,13-14,16-19,23-24H,6,8,11-12,15,20-22H2,1-5H3,(H-,44,45,46,47,48,49)

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Names and synonyms

9 names
  • 3H-Indolium, 2-[5-[1-[6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl]-1,3-dihydro-3,3-dimethyl-5-sulfo-2H-indol-2-ylidene]-1,3-pentadien-1-yl]-1-ethyl-3,3-dimethyl-5-sulfo-, inner salt
  • 3H-Indolium, 2-[5-[1-[6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl]-1,3-dihydro-3,3-dimethyl-5-sulfo-2H-indol-2-ylidene]-1,3-pentadienyl]-1-ethyl-3,3-dimethyl-5-sulfo-, inner salt
  • Cy 5.29OSu
  • FluoroLink mono reactive dye cy5
  • Cy5
  • Fluorolink cy5
  • Cyanine 5
  • 78: PN: WO2016072662 SEQID: 78 claimed sequence
  • N-Hydroxysuccinimidyl cy5

Work with Cy5 NHS ester

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Cy5146368-11-880 % similar Cy7943298-08-680 % similar Indocyanine green3599-32-438 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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