9-(2-Amino-2-deoxypentofuranosyl)-6-(methylsulfanyl)-9h-purine
Basic information
- CAS
51112-66-4- Standard SMILES
CSc1ncnc2c1ncn2C1OC(CO)C(O)C1N- InChIKey
HRSPFQGVTMSNPN-UHFFFAOYSA-N- Molecular formula
- C11H15N5O3S
- Average molar mass
- 297.34 g/mol
- Monoisotopic mass
- 297.08956053
Names & identifiers
- Preferred name
- 9-(2-Amino-2-deoxypentofuranosyl)-6-(methylsulfanyl)-9h-purine
- IUPAC
- 4-amino-2-(hydroxymethyl)-5-(6-methylsulfanylpurin-9-yl)oxolan-3-ol
Names & synonyms
51112-66-49-(2-amino-2-deoxypentofuranosyl)-6-(methylsulfanyl)-9h-purineNSC131605DTXSID50965392NSC-131605
Database identifiers
- CAS
51112-66-4- PubChem CID
- 280182
- DTXSID
DTXSID50965392
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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