Basic information
- CAS
25791-57-5- Standard SMILES
CNC1C(CO)OC(n2cnc3c(=S)nc[nH]c32)C1O- InChIKey
VNMSTMPUQQDWSE-UHFFFAOYSA-N- Molecular formula
- C11H15N5O3S
- Average molar mass
- 297.34 g/mol
- Monoisotopic mass
- 297.08956053
Names & identifiers
- Preferred name
- 9-[3-hydroxy-5-(hydroxymethyl)-4-(methylamino)oxolan-2-yl]-3H-purine-6-thione
- IUPAC
- 9-[3-hydroxy-5-(hydroxymethyl)-4-(methylamino)oxolan-2-yl]-3H-purine-6-thione
Names & synonyms
NSC13468025791-57-5DTXSID60412281NSC-134680DS-000125Inosine,3-deoxy-3-(methylamino)-6-thio-(9ci)9-[3-Deoxy-3-(methylamino)pentofuranosyl]-3,9-dihydro-6H-purine-6-thione
Database identifiers
- CAS
25791-57-5- PubChem CID
- 5237488
- DTXSID
DTXSID60412281
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 423
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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