Basic information
- CAS
1031-61-4- Standard SMILES
COC1N(C2CC(O)C(CO)O2)C(=O)NC(=O)C1(F)Br- InChIKey
JXBABPBZPSKYSI-UHFFFAOYSA-N- Molecular formula
- C10H14BrFN2O6
- Average molar mass
- 357.13 g/mol
- Monoisotopic mass
- 356.00193
Names & identifiers
- Preferred name
- Hydrouracil, 5-bromo-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-5-fluoro-6-methoxy-
- IUPAC
- 5-bromo-5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methoxy-1,3-diazinane-2,4-dione
Names & synonyms
NSC-80870NSC80870NCIOpen2_009013Uridine,6-dihydro-6-methoxy-SCHEMBL6671773CHEMBL1969630DTXSID20908195Hydrouracil, 5-bromo-1-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-5-fluoro-6-methoxy-NCI60_0417745-Bromo-1-(2-deoxy-.beta.-D-ribofuranosyl)-5-fluoro-6-methoxyhydrouracilHydrouracil, 5-bromo-1-(2-deoxy-.beta.-D-ribofuranosyl)-5-fluoro-6-methoxy-5-Bromo-1-(2-deoxypentofuranosyl)-5-fluoro-4-hydroxy-6-methoxy-5,6-dihydropyrimidin-2(1H)-one
Database identifiers
- CAS
1031-61-4- PubChem CID
- 255402
- DTXSID
DTXSID20908195- ChEMBL
CHEMBL1969630
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 427
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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