Account 2-(5-(3-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-1,1-dimethyl-6,8-disulfo-1,3-dihydro-2H-benzo[e]indol-2-ylidene)penta-1,3-dien-1-yl)-3-ethyl-1,1-dimethyl-8-sulfo-1H-benzo[e]indol-3-ium-6-sulfonate
- Catalog No. :
- ACEVQN462
- CAS No. :
- 442912-55-2
- Molecular Formula :
- C45H47N3O16S4
- Molecular Weight :
- 1014.14
IUPAC Name:(Z)-2-((2E,4E)-5-(3-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-1,1-dimethyl-6,8-disulfo-1H-benzo[e]indol-3-ium-2-yl)penta-2,4-dien-1-ylidene)-3-ethyl-1,1-dimethyl-8-sulfo-2,3-dihydro-1H-benzo[e]indole-6-sulfonate
![2-(5-(3-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-1,1-dimethyl-6,8-disulfo-1,3-dihydro-2H-benzo[e]indol-2-ylidene)penta-1,3-dien-1-yl)-3-ethyl-1,1-dimethyl-8-sulfo-1H-benzo[e]indol-3-ium-6-sulfonate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 2-(5-(3-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-1,1-dimethyl-6,8-disulfo-1,3-dihydro-2H-benzo[e]indol-2-ylidene)penta-1,3-dien-1-yl)-3-ethyl-1,1-dimethyl-8-sulfo-1H-benzo[e]indol-3-ium-6-sulfonate |
|---|---|
| IUPAC Name | (Z)-2-((2E,4E)-5-(3-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-1,1-dimethyl-6,8-disulfo-1H-benzo[e]indol-3-ium-2-yl)penta-2,4-dien-1-ylidene)-3-ethyl-1,1-dimethyl-8-sulfo-2,3-dihydro-1H-benzo[e]indole-6-sulfonate |
| Molecular Formula | C45H47N3O16S4 |
| Molecular Weight | 1014.14 |
| SMILES | CC[N+]1=C(\C=C\C=C\C=C2/N(CCCCCC(=O)ON3C(=O)CCC3=O)C3=CC=C4C(C=C(C=C4S(O)(=O)=O)S(O)(=O)=O)=C3C2(C)C)C(C)(C)C2=C1C=CC1=C2C=C(C=C1S([O-])(=O)=O)S(O)(=O)=O |
| InChI Key | DOMDXTIMIZCSNC-UHFFFAOYSA-N |
| Synonym | Cy5.5-SE;sulfo Cy5.5(Et) NHS;2-((1E,3E,5E)-5-(3-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-1,1-dimethyl-6,8-disulfo-1,3-dihydro-2H-benzo[e]indol-2-ylidene)penta-1,3-dien-1-yl)-3-ethyl-1,1-dimethyl-8-sulfo-1H-benzo[e]indol-3-ium-6-sulfonate;Cy5.5 NHS ester (water-soluble);Sulfo-Cy5.5-E SE (FIR) |
| CAS No. | 442912-55-2 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H317
- Precautionary Statement(s)
- P280-P305+P351+P338
Synthetic Route by SureRoute
2. ACEVQN462 Molecular Building Block Synthetic Route
Potassium 2-(5-(3-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-1,1-dimethyl-6,8-disulfonato-1,3-dihydro-2H-benzo[e]indol-2-ylidene)penta-1,3-dien-1-yl)-3-ethyl-1,1-dimethyl-1H-benzo[e]indol-3-ium-6,8-disulfonate
2-(3-(3-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-1,1-dimethyl-6,8-disulfo-1,3-dihydro-2H-benzo[e]indol-2-ylidene)prop-1-en-1-yl)-3-ethyl-1,1-dimethyl-6-sulfo-1H-benzo[e]indol-3-ium-8-sulfonate
3-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-2-(3-(3-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-1,1-dimethyl-6,8-disulfo-1,3-dihydro-2H-benzo[e]indol-2-ylidene)prop-1-en-1-yl)-1,1-dimethyl-8-sulfo-1H-benzo[e]indol-3-ium-6-sulfonate