beta,beta'-monochloromethylene diadenosine 5',5'''-P(1),P(4)-tetraphosphate

Modify Date: 2025-11-27 17:40:26

beta,beta'-monochloromethylene diadenosine 5',5'''-P(1),P(4)-tetraphosphate structure	Common Name	beta,beta'-monochloromethylene diadenosine 5',5'''-P(1),P(4)-tetraphosphate
	CAS Number	116371-34-7	Molecular Weight	868.85900
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₁H₂₉ClN₁₀O₁₈P₄	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]-chloromethyl]phosphonic acid
Synonym	More Synonyms

Molecular Formula	C₂₁H₂₉ClN₁₀O₁₈P₄
Molecular Weight	868.85900
Exact Mass	868.03000
PSA	463.98000
InChIKey	WJVKFIBTKWVSPQ-GLYJMQRISA-N
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2OP(=O)(O)C(Cl)P(=O)(O)O)C(O)C1O

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