Products 252860-65-4
CAS 252860-65-4 is the registry number for CoA-S-acetyl-5-bromotryptamine. Offered by: MedChemExpress. Available pack sizes: Get quote.
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-4-[[3-[2-[2-[2-(5-bromo-1H-indol-3-yl)ethylamino]-2-oxoethyl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] hydrogen phosphate (CAS 252860-65-4) is a chemical compound with the molecular formula C33H47BrN9O17P3S and a molecular weight of 1046.7 g/mol. IUPAC name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-4-[[3-[2-[2-[2-(5-bromo-1H-indol-3-yl)ethylamino]-2-oxoethyl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] hydrogen phosphate. InChIKey: BBDVCGJBELWXIQ-GMHMEAMDSA-N.
| Molecular formula | C33H47BrN9O17P3S |
|---|---|
| Molecular weight | 1046.7 g/mol |
| IUPAC name | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-4-[[3-[2-[2-[2-(5-bromo-1H-indol-3-yl)ethylamino]-2-oxoethyl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] hydrogen phosphate |
| InChIKey | BBDVCGJBELWXIQ-GMHMEAMDSA-N |
| SMILES | CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)NCCC4=CNC5=C4C=C(C=C5)Br)O |
Computed by PubChem (NCBI)
Synonyms:
CoA-S-acetyl-5-bromotryptamine, orb3144271