4-{[6-(Methylsulfanyl)-9h-purin-9-yl]amino}butane-1,2,3-triol
Basic information
- CAS
57464-47-8- Standard SMILES
CSc1ncnc2c1ncn2NCC(O)C(O)CO- InChIKey
PZGHZAMGYMTVEF-UHFFFAOYSA-N- Molecular formula
- C10H15N5O3S
- Average molar mass
- 285.33 g/mol
- Monoisotopic mass
- 285.08956053
Names & identifiers
- Preferred name
- 4-{[6-(Methylsulfanyl)-9h-purin-9-yl]amino}butane-1,2,3-triol
- IUPAC
- 4-[(6-methylsulfanylpurin-9-yl)amino]butane-1,2,3-triol
Names & synonyms
57464-47-84-((6-(Methylthio)-9H-purin-9-yl)amino)butane-1,2,3-triol4-{[6-(methylsulfanyl)-9h-purin-9-yl]amino}butane-1,2,3-triolNSC162680DTXSID30303839NSC-162680
Database identifiers
- CAS
57464-47-8- PubChem CID
- 294394
- DTXSID
DTXSID30303839
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 288
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Compound notes
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