2-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-1,4-anhydro-2-deoxy-L-arabinitol
Basic information
- CAS
178962-10-2- Standard SMILES
Nc1ccn([C@H]2CO[C@@H](CO)[C@@H]2O)c(=O)n1- InChIKey
YQZIOPLVSOBQKZ-VMHSAVOQSA-N- Molecular formula
- C9H13N3O4
- Average molar mass
- 227.22 g/mol
- Monoisotopic mass
- 227.0906059
Names & identifiers
- Preferred name
- 2-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-1,4-anhydro-2-deoxy-L-arabinitol
- IUPAC
- 4-amino-1-[(3S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]pyrimidin-2-one
Names & synonyms
NSC696241CHEMBL1975625DTXSID9011602042-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-1,4-anhydro-2-deoxy-L-arabinitolNSC-696241178962-10-2NCI60_0343742-(4-Amino-2-oxopyrimidin-1(2H)-yl)-1,4-anhydro-2-deoxy-L-arabinitol
Database identifiers
- CAS
178962-10-2- PubChem CID
- 393723
- DTXSID
DTXSID901160204- ChEMBL
CHEMBL1975625
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 355
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…