9-Pentofuranosyl-6-(propylsulfanyl)-9H-purine
Basic information
- CAS
92035-03-5- Standard SMILES
CCCSc1ncnc2c1ncn2C1OC(CO)C(O)C1O- InChIKey
RHYLMSGGVCNLOU-UHFFFAOYSA-N- Molecular formula
- C13H18N4O4S
- Average molar mass
- 326.37 g/mol
- Monoisotopic mass
- 326.10487624
Names & identifiers
- Preferred name
- 9-Pentofuranosyl-6-(propylsulfanyl)-9H-purine
- IUPAC
- 2-(hydroxymethyl)-5-(6-propylsulfanylpurin-9-yl)oxolane-3,4-diol
Names & synonyms
92035-03-5NSC390449-Pentofuranosyl-6-(propylsulfanyl)-9H-purineDTXSID90284791NSC-39044
Database identifiers
- CAS
92035-03-5- PubChem CID
- 236499
- DTXSID
DTXSID90284791
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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