| CAS Number | 1621101-43-6 |
| Catalog Number | AG00ABRA |
| Chemical Name | Sulfo-Cy5-azide |
| IUPAC Name | 2-[5-[1-[6-(3-azidopropylamino)-6-oxohexyl]-3,3-dimethyl-5-sulfoindol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3,3-dimethylindole-5-sulfonate |
| InChI | InChI=1S/C36H46N6O7S2/c1-6-41-30-19-17-26(50(44,45)46)24-28(30)35(2,3)32(41)14-9-7-10-15-33-36(4,5)29-25-27(51(47,48)49)18-20-31(29)42(33)23-12-8-11-16-34(43)38-21-13-22-39-40-37/h7,9-10,14-15,17-20,24-25H,6,8,11-13,16,21-23H2,1-5H3,(H2-,38,43,44,45,46,47,48,49) |
| InChI Key | LSISYTNZXRYXJU-UHFFFAOYSA-N |
| MDL Number | MFCD29924709 |
| Molecular Formula | C36H46N6O7S2 |
| Molecular Weight | 738.9164 |
| SMILES | [N-]=[N+]=NCCCNC(=O)CCCCCN1C2=CC=C(C=C2C(C1=CC=CC=CC3=[N+](C=4C=CC(=CC4C3(C)C)S(=O)(=O)[O-])CC)(C)C)S(=O)(=O)O |
| Synonyms | |
| Complexity | 1640 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 738.287g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 51 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 738.919g/mol |
| Monoisotopic Mass | 738.287g/mol |
| Rotatable Bond Count | 15 |
| Topological Polar Surface Area | 178A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 3 |
| XLogP3 | 5.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number