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] cyclopropanecarbothioate (CAS 52530-01-5) is a chemical compound with the molecular formula C25H40N7O17P3S and a molecular weight of 835.6 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] cyclopropanecarbothioate. InChIKey: NCSHVCWGZZSPQT-NDZSKPAWSA-N.

Identity
Molecular formula	C₂₅H₄₀N₇O₁₇P₃S
Molecular weight	835.6 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] cyclopropanecarbothioate
InChIKey	NCSHVCWGZZSPQT-NDZSKPAWSA-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)NCCSC(=O)C4CC4)O

Computed by PubChem (NCBI)

Synonyms: Cyclopropanecarboxyl-coa, S-Cyclopropanecarboxyl-coenzyme A, Coenzyme A, cyclopropanecarboxyl-, Coenzyme A, S-cyclopropanecarboxylate, Cyclopropanecarboxyl-CoA; (Acyl-CoA); [M+H]+;

Products 52530-01-5

Cyclopropanecarboxyl-CoA

Related products in this category

Products 52530-01-5

Cyclopropanecarboxyl-CoA

Isomers (same molecular formula)

Related products in this category