Basic information
- CAS
51375-22-5- Standard SMILES
O=C(CSc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1- InChIKey
VURKXOOYFPVGRK-SCFUHWHPSA-N- Molecular formula
- C18H18N4O5S
- Average molar mass
- 402.4 g/mol
- Monoisotopic mass
- 402.09979086
Names & identifiers
- Preferred name
- Inosine, 6-S-(2-oxo-2-phenylethyl)-6-thio-
- IUPAC
- 2-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]sulfanyl-1-phenylethanone
Names & synonyms
Inosine, 6-S-(2-oxo-2-phenylethyl)-6-thio-51375-22-56-S-(2-Oxo-2-phenylethyl)-6-thioinosineDTXSID601993836-[(2-Oxo-2-phenylethyl)sulfanyl]-9-beta-D-ribofuranosyl-9H-purine
Database identifiers
- CAS
51375-22-5- PubChem CID
- 171031
- DTXSID
DTXSID60199383
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 552
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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