2-Fluoro-3-hydroxyoctanoyl-CoA

cas: 943962-24-1 — see every product listed under this CAS number, including other names

2-Fluoro-3-hydroxyoctanoyl-CoA (CAS 943962-24-1) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas943962-24-1
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Structural formula: {0} (CAS {1})

S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,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] 2-fluoro-3-hydroxyoctanethioate (CAS 943962-24-1) is a chemical compound with the molecular formula C29H49FN7O18P3S and a molecular weight of 927.7 g/mol. IUPAC name: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,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] 2-fluoro-3-hydroxyoctanethioate. InChIKey: JJPMVDDGQQYZAK-KTHGQURHSA-N.

Identity
Molecular formulaC29H49FN7O18P3S
Molecular weight927.7 g/mol
IUPAC nameS-[2-[3-[[(2R)-4-[[[(2R,3S,4R,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] 2-fluoro-3-hydroxyoctanethioate
InChIKeyJJPMVDDGQQYZAK-KTHGQURHSA-N
SMILESCCCCCC(C(C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(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)O)F)O

Computed by PubChem (NCBI)

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