Adenylyl 5'-peroxydiphosphate
Basic information
- CAS
80589-10-2- Standard SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OO)[C@@H](O)[C@H]1O- InChIKey
SGQCMEQGDCLJBU-KQYNXXCUSA-N- Molecular formula
- C10H16N5O14P3
- Average molar mass
- 523.18 g/mol
- Monoisotopic mass
- 522.99066119
Overview
structure given in first source
Names & identifiers
- Preferred name
- Adenylyl 5'-peroxydiphosphate
- IUPAC
- [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroperoxy(hydroxy)phosphoryl] hydrogen phosphate
- English name
- adenylyl 5'-peroxydiphosphate
- Molecular formula
- C10H16N5O14P3
- Molecular weight
- 523.18
Names & synonyms
Adenylyl 5'-peroxydiphosphateAmp-PO2Pbeta,gamma-Peroxy-ATP80589-10-2Adenosine 5'-(beta,gamma-peroxytriphosphate)5'-Adenylic acid, monoanhydride with peroxydiphosphoric acid (((HO)2P(O))2O2)RefChem:109762DTXSID9010013335'-O-[{[{[hydroperoxy(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine9-{5-O-[{[{[Hydroperoxy(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]pentofuranosyl}-9H-purin-6-amine5'-Adenylic acid, monoanhydride with peroxydiphosphoric acid ([(HO)2P(O)]2O2) (9CI)
Database identifiers
- CAS
80589-10-2- PubChem CID
- 196172
- DTXSID
DTXSID901001333
Properties
Computed structural properties
- XLogP
- -5.7
- Topological polar surface area
- 288 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 822
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…