Adenosine-5'-O-(beta,gamma-dichloromethane)triphosphate
Basic information
- CAS
81336-74-5- Standard SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)CP(=O)(OCl)OCl)[C@@H](O)[C@H]1O- InChIKey
MYVOXUCRWLLKSA-IOSLPCCCSA-N- Molecular formula
- C11H16Cl2N5O12P3
- Average molar mass
- 574.1 g/mol
- Monoisotopic mass
- 572.9385373
Overview
competitive blocker of ATP receptor in the sensory neurons of rats
Names & identifiers
- Preferred name
- Adenosine-5'-O-(beta,gamma-dichloromethane)triphosphate
- IUPAC
- [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(dichlorooxyphosphorylmethyl)phosphinic acid
- English name
- 5'-Adenylic acid, monoanhydride with (dichlorophosphonomethyl)phosphonic acid
- Molecular formula
- C11H16Cl2N5O12P3
- Molecular weight
- 574.1
Names & synonyms
Bgd-ATPbeta,gamma-Dichloromethane-ATP81336-74-5Adenosine 5'-(beta,gamma-dichloromethylene) triphosphateAdenosine-5'-O-(beta,gamma-dichloromethane)triphosphateRefChem:1097505'-Adenylic acid, monoanhydride with (dichlorophosphonomethyl)phosphonic acid[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(dichlorooxyphosphorylmethyl)phosphinic acidDTXSID8010019305'-Adenylicacidmonoanhydridewith(dichlorophosphonomethyl)phosphonicacid5'-O-[{[{[bis(chlorooxy)phosphoryl]methyl}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine9-{5-O-[{[{[Bis(chlorooxy)phosphoryl]methyl}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]pentofuranosyl}-9H-purin-6-amine
Show more names
5'-Adenylic acid, anhydride with (dichloromethylene)bis[phosphonic acid] (1:1)
Properties
Computed structural properties
- XLogP
- -3.2
- Topological polar surface area
- 248 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 839
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Related reactions
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Compound notes
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