S-(3-Chloropropanoate-CoA

cas: 96212-36-1 — see every product listed under this CAS number, including other names

S-(3-Chloropropanoate-CoA (CAS 96212-36-1) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas96212-36-1
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Structural formula: {0} (CAS {1})

S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-chloropropanethioate (CAS 96212-36-1) is a chemical compound with the molecular formula C24H39ClN7O17P3S and a molecular weight of 858.0 g/mol. IUPAC name: S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-chloropropanethioate. InChIKey: LBJZPAYTKZKLLL-UHFFFAOYSA-N.

Identity
Molecular formulaC24H39ClN7O17P3S
Molecular weight858.0 g/mol
IUPAC nameS-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-chloropropanethioate
InChIKeyLBJZPAYTKZKLLL-UHFFFAOYSA-N
SMILESCC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CCCl)O

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