OPC6-CoA

cas: 2226543-65-1 — see every product listed under this CAS number, including other names

OPC6-CoA (CAS 2226543-65-1) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas2226543-65-1
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Structural formula: {0} (CAS {1})

S-[2-[3-[[(2R)-4-[[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 6-[(2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]hexanethioate (CAS 2226543-65-1) is a chemical compound with the molecular formula C37H60N7O18P3S and a molecular weight of 1015.9 g/mol. IUPAC name: S-[2-[3-[[(2R)-4-[[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 6-[(2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]hexanethioate. InChIKey: VWFUYQVGVAEVNH-ZAPFENOOSA-N.

Identity
Molecular formulaC37H60N7O18P3S
Molecular weight1015.9 g/mol
IUPAC nameS-[2-[3-[[(2R)-4-[[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 6-[(2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]hexanethioate
InChIKeyVWFUYQVGVAEVNH-ZAPFENOOSA-N
SMILESCC/C=C\C[C@H]1C(CCC1=O)CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@@H](C([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O)O)O

Computed by PubChem (NCBI)

Synonyms: orb3144598

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