Adenosine 2',5'-diphosphate
Basic information
- CAS
3805-37-6- Standard SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)C(O)C1OP(=O)(O)O- InChIKey
AEOBEOJCBAYXBA-DGPXGRDGSA-N- Molecular formula
- C10H15N5O10P2
- Average molar mass
- 427.2 g/mol
- Monoisotopic mass
- 427.02941569
Names & identifiers
- Preferred name
- Adenosine 2',5'-diphosphate
- IUPAC
- [(2R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate
- English name
- [(2R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]me thoxyphosphonic acid
- Molecular formula
- C10H15N5O10P2
- Molecular weight
- 427.2
Names & synonyms
Adenosine 2',5'-diphosphate2'-Phospho-ampAdo(2',5')P22'-Phosphoadenosine 5'-phosphateRefChem:1096972',5'-ADP[(2R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphateSCHEMBL302038212'-Adenylic acid, 5'-(dihydrogen phosphate)A2P5P2',5'-Adenosine diphosphateAdenosine-2'-phophate-5'-phophate
Show more names
Adenosine 2',5'-bis(phosphoric acid)Adenosine-2’,/5′,-bisphosphate, S packAdenosine-2’,/5′,-bisphosphate, L packAdenosine-2'',5''-diphosphoric acid (and/or unspecified salts)
Database identifiers
- CAS
3805-37-6- PubChem CID
- 168973
Properties
Computed structural properties
- XLogP
- -4.6
- Topological polar surface area
- 233 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 631
Physicochemical properties
- Boiling point
- 924.3 · 924.3±75.0 °C(Predicted)
- Density
- 2.49 · 2.49±0.1 g/cm3(Predicted)
- pka
- 1.83 · 1.83±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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