chempirical

Cy5

C33H40N2O8S2CAS 146368-11-8656.81 g/mol

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

Properties

Molecular formula
C33H40N2O8S2
Molar mass
656.81 g/mol
Exact mass
656.2226 Da
logP
5.67Crippen estimate
Polar surface area
155.1 Ų
H-bond donors / acceptors
2 / 7
Rotatable bonds
12
Double bonds
E, E, EE/Z, in SMILES order

Identifiers

CAS number
146368-11-8
SMILES
CCN\1C2=C(C=C(C=C2)S(=O)(=O)[O-])C(/C1=C\C=C\C=C\C3=[N+](C4=C(C3(C)C)C=C(C=C4)S(=O)(=O)O)CCCCCC(=O)O)(C)C
InChIKey
HPICMEGAGMPYID-UHFFFAOYSA-N
InChI
InChI=1S/C33H40N2O8S2/c1-6-34-27-18-16-23(44(38,39)40)21-25(27)32(2,3)29(34)13-9-7-10-14-30-33(4,5)26-22-24(45(41,42)43)17-19-28(26)35(30)20-12-8-11-15-31(36)37/h7,9-10,13-14,16-19,21-22H,6,8,11-12,15,20H2,1-5H3,(H2-,36,37,38,39,40,41,42,43)

Weigh it out

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

Names and synonyms

1 names
  • 3H-Indolium, 2-[5-[1-(5-carboxypentyl)-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

Work with Cy5

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

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