Basic information
- CAS
72071-18-2- Standard SMILES
CSCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O- InChIKey
PHNSWKJODWSFFA-UHFFFAOYSA-N- Molecular formula
- C12H17N5O4S
- Average molar mass
- 327.36 g/mol
- Monoisotopic mass
- 327.10012521
Names & identifiers
- Preferred name
- 2-(Hydroxymethyl)-5-[6-(methylsulfanylmethylamino)purin-9-yl]oxolane-3,4-diol
- IUPAC
- 2-(hydroxymethyl)-5-[6-(methylsulfanylmethylamino)purin-9-yl]oxolane-3,4-diol
Names & synonyms
72071-18-2NSC3108122-(hydroxymethyl)-5-[6-(methylsulfanylmethylamino)purin-9-yl]oxolane-3,4-diolDTXSID30317097NSC-310812Adenosine,n-[(methylthio)methyl]-(9ci)DS-006404N-[(Methylsulfanyl)methyl]-9-pentofuranosyl-9H-purin-6-amine
Database identifiers
- CAS
72071-18-2- PubChem CID
- 329280
- DTXSID
DTXSID30317097
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 381
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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