Basic information
- Standard SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O- InChIKey
XTWYTFMLZFPYCI-KQYNXXCUSA-N- Molecular formula
- C10H15N5O10P2
- Average molar mass
- 427.2 g/mol
- Monoisotopic mass
- 427.02941569
Names & identifiers
- Preferred name
- 5'-Adp
- IUPAC
- [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
Names & synonyms
Adenosine 5'-diphosphateAdenosine diphosphate58-64-0Adenosine 5'-(trihydrogen diphosphate)5'-Adpadenosine pyrophosphateadenosine 5'-pyrophosphate61D2G4IYVHADENOSINE, 5'-(TRIHYDROGEN PYROPHOSPHATE)[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphateDTXSID608832105'-Pyrophosphate, Adenosine
Show more names
ADP, Magnesium((2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl)methyl phosphono hydrogen phosphateDiphosphate, AdenosinePyrophosphate, AdenosineRefChem:912857Adenosine 5' PyrophosphateDTXCID301022759(((((2S,3R,4S,5S)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl)methoxy)(hydroxy)phosphoryl)oxy)phosphonic acid
Database identifiers
- CAS
58-64-0- PubChem CID
- 6022
- DTXSID
DTXSID60883210- ChEMBL
CHEMBL14830- ChEBI
CHEBI:16761- UNII
- 61D2G4IYVH
- EC Number
- 200-392-5
- Nikkaji
- J10.683F
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
- 637
Related reactions
24 records
Linked notes
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