Basic information
- CAS
142237-28-3- Standard SMILES
O=C1NC(=O)C(F)(n2cc(F)c(=O)[nH]c2=O)C(O)N1- InChIKey
NLAFMRFXDRRFSK-UHFFFAOYSA-N- Molecular formula
- C8H6F2N4O5
- Average molar mass
- 276.15 g/mol
- Monoisotopic mass
- 276.03062563
Overview
structure given in first source; a dimer that releases a typical antitumor drug upon gamma-irradiation in oxygen-free aqueous solution
Names & identifiers
- Preferred name
- 1-(5'-Fluoro-6'-hydroxy-5',6'-dihydrouracil-5'-yl)-5-fluorouracil
- IUPAC
- 5-fluoro-1-(5-fluoro-4-hydroxy-2,6-dioxo-1,3-diazinan-5-yl)pyrimidine-2,4-dione
- English name
- 1-(5'-fluoro-6'-hydroxy-5',6'-dihydrouracil-5'-yl)-5-fluorouracil
- Molecular formula
- C8H6F2N4O5
- Molecular weight
- 276.1538464
Names & synonyms
142237-28-3Hdfu-5-FU1-(5'-Fluoro-6'-hydroxy-5',6'-dihydrouracil-5'-yl)-5-fluorouracilRefChem:74548NSC664145(1(2H),5'-Bipyrimidine)-2,2',4,4'(1'H,3H,3'H)-tetrone, 5,5'-difluoro-5',6'-dihydro-6'-hydroxy-CHEMBL2001058SCHEMBL23513441NSC-664145NCI60_0220485-fluoro-1-(5-fluoro-4-hydroxy-2,6-dioxo-hexahydropyrimidin-5-yl)pyrimidine-2,4-dione5-Fluoro-5-(5-fluoro-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-6-hydroxydihydro-2,4(1H,3H)-pyrimidinedione
Database identifiers
- CAS
142237-28-3- PubChem CID
- 379482
- ChEMBL
CHEMBL2001058- Nikkaji
- J1.510.943B
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 535
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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