2-(6-Amino-2-methylsulfanylpurin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Basic information
- CAS
16797-73-2- Standard SMILES
CSc1nc(N)c2c(ncn2C2OC(CO)C(O)C2O)n1- InChIKey
CRYLGGQVMIOMDU-UHFFFAOYSA-N- Molecular formula
- C11H15N5O4S
- Average molar mass
- 313.34 g/mol
- Monoisotopic mass
- 313.08447515
Names & identifiers
- Preferred name
- 2-(6-Amino-2-methylsulfanylpurin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
- IUPAC
- 2-(6-amino-2-methylsulfanylpurin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Names & synonyms
NSC116538NSC-11653816797-73-2
Database identifiers
- CAS
16797-73-2- PubChem CID
- 272249
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 165 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 381
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Compound notes
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