chempirical

Cy7

C35H42N2O8S2CAS 943298-08-6682.85 g/mol

Open in Covalent MOL file
NSOOO−N+SOOOHOOH
AlkeneCarboxylic acidSulfonic acidTertiary amine

Properties

Molecular formula
C35H42N2O8S2
Molar mass
682.85 g/mol
Exact mass
682.2383 Da
logP
6.23Crippen estimate
Polar surface area
155.1 Ų
H-bond donors / acceptors
2 / 7
Rotatable bonds
13

Hazards

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

Identifiers

CAS number
943298-08-6
SMILES
CCN1C2=C(C=C(C=C2)S(=O)(=O)[O-])C(C1=CC=CC=CC=CC3=[N+](C4=C(C3(C)C)C=C(C=C4)S(=O)(=O)O)CCCCCC(=O)O)(C)C
InChIKey
CZWUESRDTYLNDE-UHFFFAOYSA-N
InChI
InChI=1S/C35H42N2O8S2/c1-6-36-29-20-18-25(46(40,41)42)23-27(29)34(2,3)31(36)15-11-8-7-9-12-16-32-35(4,5)28-24-26(47(43,44)45)19-21-30(28)37(32)22-14-10-13-17-33(38)39/h7-9,11-12,15-16,18-21,23-24H,6,10,13-14,17,22H2,1-5H3,(H2-,38,39,40,41,42,43,44,45)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • Sulfo-Cy7-acid

Work with Cy7

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

Cy5146368-11-8100 % similar Cy5 NHS ester146368-14-180 % similar Indocyanine green3599-32-442 % similar Trump IR134127-48-331 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook