Products 252860-61-0
CAS 252860-61-0 is the registry number for CoA-S-trimethylene-acetyl-tryptamine. 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)-3-hydroxy-4-[[3-[2-[5-[2-(1H-indol-3-yl)ethylamino]-5-oxopentyl]sulfanylethylamino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] hydrogen phosphate (CAS 252860-61-0) is a chemical compound with the molecular formula C36H54N9O17P3S and a molecular weight of 1009.9 g/mol. IUPAC name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-3-hydroxy-4-[[3-[2-[5-[2-(1H-indol-3-yl)ethylamino]-5-oxopentyl]sulfanylethylamino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] hydrogen phosphate. InChIKey: RFOXOYXMKJPZDH-VTINEICCSA-N.
| Molecular formula | C36H54N9O17P3S |
|---|---|
| Molecular weight | 1009.9 g/mol |
| IUPAC name | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-3-hydroxy-4-[[3-[2-[5-[2-(1H-indol-3-yl)ethylamino]-5-oxopentyl]sulfanylethylamino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] hydrogen phosphate |
| InChIKey | RFOXOYXMKJPZDH-VTINEICCSA-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)NCCSCCCCC(=O)NCCC4=CNC5=CC=CC=C54)O |
Computed by PubChem (NCBI)
Synonyms:
COA-S-TRIMETHYLENE-ACETYL-TRYPTAMINE, orb3144420