Basic information
- CAS
40089-55-2- Standard SMILES
O=c1[nH]c(=O)n(C2OC(CO)C(O)C2O)cc1N=Cc1ccc(Cl)cc1Cl- InChIKey
BALLWHQJHLFIMG-UHFFFAOYSA-N- Molecular formula
- C16H15Cl2N3O6
- Average molar mass
- 416.2 g/mol
- Monoisotopic mass
- 415.0337906
Names & identifiers
- Preferred name
- 5-[(2,4-Dichlorophenyl)methylideneamino]-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
- IUPAC
- 5-[(2,4-dichlorophenyl)methylideneamino]-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Names & synonyms
NSC52427240089-55-2DTXSID10326127NSC-5242725-{(E)-[(2,4-Dichlorophenyl)methylidene]amino}-1-pentofuranosylpyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
40089-55-2- PubChem CID
- 351985
- DTXSID
DTXSID10326127
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 660
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…