9-(5-Deoxyhexofuranosyl)-3,9-dihydro-6H-purine-6-thione
Basic information
- CAS
4072-37-1- Standard SMILES
OCCC1OC(n2cnc3c(=S)nc[nH]c32)C(O)C1O- InChIKey
BUWDXOOLPGDERE-UHFFFAOYSA-N- Molecular formula
- C11H14N4O4S
- Average molar mass
- 298.32 g/mol
- Monoisotopic mass
- 298.07357611
Names & identifiers
- Preferred name
- 9-(5-Deoxyhexofuranosyl)-3,9-dihydro-6H-purine-6-thione
- IUPAC
- 9-[3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]-3H-purine-6-thione
Names & synonyms
4072-37-1NSC917449-(5-Deoxyhexofuranosyl)-3,9-dihydro-6H-purine-6-thioneDTXSID50398727NSC89804NSC-89804NSC-917449-(5-Deoxy-|A-D-ribo-hexofuranosyl)-1,9-dihydro-6H-purine-6-thione
Database identifiers
- CAS
4072-37-1- PubChem CID
- 4044205
- DTXSID
DTXSID50398727
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 144 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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