Account Tris(triethylamine) 2-(5-(3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indolin-2-ylidene)penta-1,3-dien-1-yl)-3-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3-methyl-1-(3-sulfonatopropyl)-3H-indol-1-ium-5-sulfonate
- Catalog No. :
- ACBWOS636
- CAS No. :
- 407627-61-6
- Molecular Formula :
- C58H94N6O16S4
- Molecular Weight :
- 1259.68
IUPAC Name:tris(triethylamine) 2-(5-(3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indolin-2-ylidene)penta-1,3-dien-1-yl)-3-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3-methyl-1-(3-sulfonatopropyl)-3H-indol-1-ium-5-sulfonate
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Product Information
| Product Name | Tris(triethylamine) 2-(5-(3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indolin-2-ylidene)penta-1,3-dien-1-yl)-3-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3-methyl-1-(3-sulfonatopropyl)-3H-indol-1-ium-5-sulfonate |
|---|---|
| IUPAC Name | tris(triethylamine) 2-(5-(3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indolin-2-ylidene)penta-1,3-dien-1-yl)-3-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3-methyl-1-(3-sulfonatopropyl)-3H-indol-1-ium-5-sulfonate |
| Molecular Formula | C58H94N6O16S4 |
| Molecular Weight | 1259.68 |
| SMILES | CC1(C)C(=CC=CC=CC2=[N+](CCCS(=O)(=O)[O-])C3=C(C=C(S(=O)(=O)O)C=C3)C2(C)CCCCCC(=O)ON2C(=O)CCC2=O)N(CCCS(=O)(=O)O)C2=C1C=C(S(=O)(=O)O)C=C2.CCN(CC)CC.CCN(CC)CC.CCN(CC)CC |
| InChI Key | ZSJDPEXOCKLWTC-UHFFFAOYSA-N |
| Synonym | 3H-Indolium, 2-[5-[1,3-dihydro-3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)-2H-indol-2-ylidene]-1,3-pentadien-1-yl]-3-[6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl]-3-methyl-5-sulfo-1-(3-sulfopropyl)-, inner salt, compd. with N,N-diethylethanamine (1:3);AF647-NHS ester triTEA;OKF 647 SE.TEA |
| CAS No. | 407627-61-6 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319
- Precautionary Statement(s)
- P264-P270-P280-P301+P312+P330-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P501
Synthetic Route by SureRoute
2. ACBWOS636 Molecular Building Block Synthetic Route
3-(2-(5-(3,3-Dimethyl-5-sulfo-1-(3-sulfopropyl)indolin-2-ylidene)penta-1,3-dien-1-yl)-3-(5-((2,5-dioxopyrrolidin-1-yl)oxy)-5-oxopentyl)-3-methyl-5-sulfo-3H-indol-1-ium-1-yl)propane-1-sulfonate
3-(2-(5-(3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indolin-2-ylidene)penta-1,3-dien-1-yl)-3-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3-methyl-5-sulfo-3H-indol-1-ium-1-yl)propane-1-sulfonate
AF647-NHS ester tripotassium