Basic information
- Standard SMILES
Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(OP(=O)(O)O)C1O- InChIKey
WHTCPDAXWFLDIH-UHFFFAOYSA-N- Molecular formula
- C10H15N5O10P2
- Average molar mass
- 427.2 g/mol
- Monoisotopic mass
- 427.02941569
Overview
adenosine 3,5-bisphosphate has been reported in Homo sapiens with data available.
Names & identifiers
- Preferred name
- 9-(3,5-Di-O-phosphonopentofuranosyl)-9H-purin-6-amine
- IUPAC
- [5-(6-aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate
Names & synonyms
DTXSID908625189-(3,5-Di-O-phosphonopentofuranosyl)-9H-purin-6-amineRefChem:1074896DTXCID30811267CHEMBL416789SCHEMBL15498428SCHEMBL31266503BDBM50062279"ADENOSINE 3',5'-DIPHOSPHATE"Adenosine 3,5-bisphosphate triethylammonium salt - 10mM aqueous solutionPhosphoric acid mono-[5-(6-amino-purin-9-yl)-4-hydroxy-2-phosphonooxymethyl-tetrahydro-furan-3-yl] ester
Database identifiers
- PubChem CID
- 73
- DTXSID
DTXSID90862518- ChEMBL
CHEMBL416789
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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