3'-Deoxyadenosine-2',5'-diphosphoimidazolide
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Basic information
- CAS
113888-20-3- Standard SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)n2ccnc2)C[C@H]1OP(=O)(O)n1ccnc1- InChIKey
PLHILTSIFNHEGX-HWWQOWPSSA-N- Molecular formula
- C16H19N9O7P2
- Average molar mass
- 511.33 g/mol
- Monoisotopic mass
- 511.08826797
Overview
structure given in first source
Names & identifiers
- Preferred name
- 3'-Deoxyadenosine-2',5'-diphosphoimidazolide
- IUPAC
- [(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-[[hydroxy(imidazol-1-yl)phosphoryl]oxymethyl]oxolan-3-yl]oxy-imidazol-1-ylphosphinic acid
- English name
- 3'-deoxyadenosine-2',5'-diphosphoimidazolide
- Molecular formula
- C16H19N9O7P2
- Molecular weight
- 511.33
Names & synonyms
Impd(3')apim113888-20-33'-Deoxyadenosine-2',5'-diphosphoimidazolideRefChem:903653'-deoxy-2',5'-bis-o-[hydroxy(1h-imidazol-1-yl)phosphoryl]adenosineDTXSID709212339-{3-Deoxy-2,5-bis-O-[hydroxy(1H-imidazol-1-yl)phosphoryl]pentofuranosyl}-9H-purin-6-amineAdenosine, 3'-deoxy-, 2',5'-bis(hydrogen 1H-imidazol-1-ylphosphonate) (9CI)
Database identifiers
- CAS
113888-20-3- PubChem CID
- 195050
- DTXSID
DTXSID70921233
Properties
Computed structural propertiesFilling in
- XLogP
- -2.3
- Topological polar surface area
- 208 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 830
Related reactions
0 records
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Compound notes
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