9-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-3H-purine-6-thione
Basic information
- CAS
35190-30-8- Standard SMILES
OCC1OC(Cn2cnc3c(=S)nc[nH]c32)C(O)C1O- InChIKey
UNFVIXDKJWFSOI-UHFFFAOYSA-N- Molecular formula
- C11H14N4O4S
- Average molar mass
- 298.32 g/mol
- Monoisotopic mass
- 298.07357611
Names & identifiers
- Preferred name
- 9-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-3H-purine-6-thione
- IUPAC
- 9-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-3H-purine-6-thione
Names & synonyms
NSC13843835190-30-89-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-3H-purine-6-thioneDTXSID00397942NSC-138438DS-0093442,5-Anhydro-1-deoxy-1-(6-sulfanylidene-3,6-dihydro-9H-purin-9-yl)hexitol
Database identifiers
- CAS
35190-30-8- PubChem CID
- 3916709
- DTXSID
DTXSID00397942
Properties
Computed structural properties
- XLogP
- -1.6
- 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
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Compound notes
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