Basic information
- Standard SMILES
Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.O.[Na+].[Na+].[Na+].[Na+]- InChIKey
FZFRPFGYLGAEPR-LTPGDGGNSA-J- Molecular formula
- C10H13ClN5Na4O14P3
- Average molar mass
- 647.57 g/mol
- Monoisotopic mass
- 646.8951159
Names & identifiers
- Preferred name
- 2-Chloro-ATP tetrasodium hydrate
- IUPAC
- tetrasodium;[[[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate;hydrate
Names & synonyms
2-Chloro-ATP tetrasodium hydrateDTXSID701019049Sodium 2-chloro-5'-O-({[(phosphonatooxy)phosphinato]oxy}phosphinato)adenosine--water (4/1/1)
Database identifiers
- PubChem CID
- 71308596
- DTXSID
DTXSID701019049
Properties
Computed structural properties
- Topological polar surface area
- 291 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 808
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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