N-[9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methylsulfanylpurin-2-yl]acetamide
Basic information
- CAS
61552-37-2- Standard SMILES
CSc1nc(NC(C)=O)nc2c1ncn2C1CC(O)C(CO)O1- InChIKey
LMFDZNOSXDJWER-UHFFFAOYSA-N- Molecular formula
- C13H17N5O4S
- Average molar mass
- 339.37 g/mol
- Monoisotopic mass
- 339.10012521
Names & identifiers
- Preferred name
- N-[9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methylsulfanylpurin-2-yl]acetamide
- IUPAC
- N-[9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methylsulfanylpurin-2-yl]acetamide
Names & synonyms
61552-37-2NSC166644N-[9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methylsulfanylpurin-2-yl]acetamideDTXSID40304650NSC-166644N-Acetyl-9-(2-deoxypentofuranosyl)-6-(methylsulfanyl)-9H-purin-2-amine
Database identifiers
- CAS
61552-37-2- PubChem CID
- 296479
- DTXSID
DTXSID40304650
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 445
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Related reactions
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Compound notes
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