S-[2-[3-[[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] hex-2-enethioate

Modify Date: 2025-11-27 18:42:58

S-[2-[3-[[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] hex-2-enethioate structure	Common Name	S-[2-[3-[[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] hex-2-enethioate
	CAS Number	10018-93-6	Molecular Weight	863.66100
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₇H₄₄N₇O₁₇P₃S	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	S-[2-[3-[[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] hex-2-enethioate
Synonym	More Synonyms

Molecular Formula	C₂₇H₄₄N₇O₁₇P₃S
Molecular Weight	863.66100
Exact Mass	863.17300
PSA	418.36000
LogP	1.38400
InChIKey	OINXHIBNZUUIMR-ZOGSZLKASA-N
SMILES	CCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O

Coenzyme A,S-2-hexenoate,(E)-(8CI)

trans-2-hexenoyl-CoA

trans-2-Hexenoylcoenzyme A

trans-D2,3-Hexenoyl-CoA

S-Hex-2t-enoyl-coenzym-A

S-hex-2t-enoyl-coenzyme-A

Coenzyme A,S-(2E)-2-hexenoate

(2E)-Hexenoyl-CoA

(2E)-2-hexenoyl-CoA

hexenoyl-CoA

Hex-2-trans-enoyl-CoA

Names