[(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
Basic information
- CAS
59033-76-0- Standard SMILES
O=C(Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1)c1ccccc1- InChIKey
OFYLTHUCHOJBNS-YNEHKIRRSA-N- Molecular formula
- C17H18N5O7P
- Average molar mass
- 435.3 g/mol
- Monoisotopic mass
- 435.09438493
Names & identifiers
- Preferred name
- [(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
- IUPAC
- [(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
Names & synonyms
[(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphateDTXSID109745012'-Deoxy-N-[hydroxy(phenyl)methylidene]adenosine 5'-(dihydrogen phosphate)9-(2-Deoxy-5-O-phosphonopentofuranosyl)-6-{[hydroxy(phenyl)methylidene]amino}-9H-purine
Database identifiers
- CAS
59033-76-0- PubChem CID
- 191503
- DTXSID
DTXSID10974501- Nikkaji
- J1.381.554B
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 169 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 660
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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