4-Amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]thieno[2,3-d]pyrimidin-2-one
Basic information
- CAS
75860-81-0- Standard SMILES
Nc1nc(=O)n(C2OC(CO)C(O)C2O)c2sccc12- InChIKey
XPHJMVHFQIFRBV-UHFFFAOYSA-N- Molecular formula
- C11H13N3O5S
- Average molar mass
- 299.31 g/mol
- Monoisotopic mass
- 299.0575917
Names & identifiers
- Preferred name
- 4-Amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]thieno[2,3-d]pyrimidin-2-one
- IUPAC
- 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]thieno[2,3-d]pyrimidin-2-one
Names & synonyms
75860-81-0NSC2341804-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]thieno[2,3-d]pyrimidin-2-oneDTXSID30310902NSC-2341804-Amino-1-pentofuranosylthieno[2,3-d]pyrimidin-2(1H)-one
Database identifiers
- CAS
75860-81-0- PubChem CID
- 314696
- DTXSID
DTXSID30310902
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 448
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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