Basic information
- CAS
3805-37-6- Standard SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1OP(=O)(O)O- InChIKey
AEOBEOJCBAYXBA-KQYNXXCUSA-N- Molecular formula
- C10H15N5O10P2
- Average molar mass
- 427.2 g/mol
- Monoisotopic mass
- 427.02941569
Names & identifiers
- Preferred name
- A2P5P
- IUPAC
- [(2R,3R,4R,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'-diphosphateA2P5PAdenosine 2',5'-bisphosphate2,5-ADP3805-37-6[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate((2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(phosphonooxymethyl)oxolan-3-yl) dihydrogen phosphate((2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(phosphonooxymethyl)tetrahydrofuran-3-yl) dihydrogen phosphateRefChem:108424adenosine 2',5'-bis(dihydrogen phosphate)C03850
Show more names
2',5'-ADP2'-Phospho-AMP2',5'-Adenosine diphosphateAdenosine-2'-phophate-5'-phophateAdenosine 2',5'-bis(phosphoric acid)2'-Adenylic acid, 5'-(dihydrogen phosphate)Adenosine-2’,/5′,-bisphosphate, S packAdenosine-2’,/5′,-bisphosphate, L packAdenosine-2'',5''-diphosphoric acid (and/or unspecified salts)
A2P9icd1h1h1hi31o0oorb64177GTPL1717orb1734178
Database identifiers
- CAS
3805-37-6- PubChem CID
- 440141
- DTXSID
DTXSID70959011- ChEMBL
CHEMBL1161861- Nikkaji
- J79.857F
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
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
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)
Chemistry & industry
Suppliers7 total
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
BOC Sciences16314854226 · [email protected]
维百奥（北京）生物科技有限公司13621190864 13691409741 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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