9-(3,4-dihydroxy-5-methyloxolan-2-yl)-3H-purine-6-thione
Basic information
- CAS
4152-58-3- Standard SMILES
CC1OC(n2cnc3c(=S)nc[nH]c32)C(O)C1O- InChIKey
ARGJBKSQAGWATL-UHFFFAOYSA-N- Molecular formula
- C10H12N4O3S
- Average molar mass
- 268.29 g/mol
- Monoisotopic mass
- 268.06301143
Names & identifiers
- Preferred name
- 9-(3,4-dihydroxy-5-methyloxolan-2-yl)-3H-purine-6-thione
- IUPAC
- 9-(3,4-dihydroxy-5-methyloxolan-2-yl)-3H-purine-6-thione
Names & synonyms
NSC1035494152-58-3DTXSID30411569NSC-1035499-(5-Deoxypentofuranosyl)-3,9-dihydro-6H-purine-6-thione
Database identifiers
- CAS
4152-58-3- PubChem CID
- 5227919
- DTXSID
DTXSID30411569
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 393
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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