5'-Adenylic acid,anhydride with(dichloromethylene)bis[phosphonic acid](1:1)

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Catalog Number
ACM81336745
Product Name
5'-Adenylic acid,anhydride with(dichloromethylene)bis[phosphonic acid](1:1)
Structure
Structure
CAS
81336-74-5
Category
Heterocyclic Organic Compound
Synonyms
Bgd-ATP, beta,gamma-Dichloromethane-ATP, CID174233, Adenosine 5-(beta,gamma-dichloromethylene) triphosphate, Adenosine-5-O-(beta,gamma-dichloromethane)triphosphate, 5-Adenylic acid, monoanhydride with (dichlorophosphonomethyl)phosphonic acid, 81336-74-5
IUPAC Name
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(dichlorooxyphosphorylmethyl)phosphinic acid
Molecular Weight
542.1
Molecular Formula
C11H16Cl2N5O12P3
Canonical SMILES
C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(CP(=O)(OCl)OCl)O)O)O
InChI Key
MYVOXUCRWLLKSA-IOSLPCCCSA-N
Exact Mass
540.94900
H-Bond Acceptor
16
H-Bond Donor
5
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