2-(5,6-Diaminopyrimidin-4-yl)-6-hydroxy-7-(hydroxymethyl)-4,8-dioxa-2-azabicyclo[3.3.0]octane-3-thione
Basic information
- CAS
56153-74-3- Standard SMILES
Nc1ncnc(N2C(=S)OC3C(O)C(CO)OC32)c1N- InChIKey
XBUCKHBBTYCMAZ-UHFFFAOYSA-N- Molecular formula
- C10H13N5O4S
- Average molar mass
- 299.31 g/mol
- Monoisotopic mass
- 299.06882509
Names & identifiers
- Preferred name
- 2-(5,6-Diaminopyrimidin-4-yl)-6-hydroxy-7-(hydroxymethyl)-4,8-dioxa-2-azabicyclo[3.3.0]octane-3-thione
- IUPAC
- 3-(5,6-diaminopyrimidin-4-yl)-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazole-2-thione
Names & synonyms
56153-74-3NSC2375152-(5,6-diaminopyrimidin-4-yl)-6-hydroxy-7-(hydroxymethyl)-4,8-dioxa-2-azabicyclo[3.3.0]octane-3-thioneDTXSID30330266NSC-2375153-(5,6-Diaminopyrimidin-4-yl)-6-hydroxy-5-(hydroxymethyl)tetrahydrofuro[2,3-d][1,3]oxazole-2(3H)-thione
Database identifiers
- CAS
56153-74-3- PubChem CID
- 428407
- DTXSID
DTXSID30330266
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 172 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 402
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Compound notes
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