Basic information
- CAS
57454-45-2- Standard SMILES
Nc1ncnc2c1n[14cH]n2[C@@H]1O[C@H](COC(=O)c2ccc(S(=O)(=O)F)cc2)[C@@H](O)[C@H]1O- InChIKey
AQZGKOBMIMVGMG-GQTHVETBSA-N- Molecular formula
- C17H16FN5O7S
- Average molar mass
- 455.4 g/mol
- Monoisotopic mass
- 455.07868919
Names & identifiers
- Preferred name
- [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 4-fluorosulfonylbenzoate
- IUPAC
- [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 4-fluorosulfonylbenzoate
Names & synonyms
57454-45-2[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 4-fluorosulfonylbenzoateDTXSID30349277[8-14C]-Fluorosulfonylbenzoyladenosine5'-p-Fluorosulfonylbenzoyl adenosine-8-14C5'-O-[4-(Fluorosulfonyl)benzoyl](8-~14~C)adenosineFluorosulfonylbenzoyl-Adenosine, 5'-p-[Adenine-8-14C]-Adenosine-8-14C, 5'-[4-(fluorosulfonyl)benzoate] (9CI)
Database identifiers
- CAS
57454-45-2- PubChem CID
- 644121
- DTXSID
DTXSID30349277
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 188 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 762
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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