CAS
126434-73-9 Purity
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126434-73-9 Purity
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Octanoyl coenzyme a
CAS
1264-52-4
Catalog Number
ACM1264524
Category
Other Products
Molecular Weight
893.73
Molecular Formula
C29H50N7O17P3S
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Specification
Synonyms
CO8; capryloyl-coenzyme A; octylyl-CoA; Coenzyme A,S-octanoate; Capryloyl CoA; 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]a
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] octanethioate
Canonical SMILES
CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O
InChI Key
KQMZYOXOBSXMII-CECATXLMSA-N
Density
1.71 g/cm³
Exact Mass
893.22000
H-Bond Acceptor
21
H-Bond Donor
9
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