1-(2-Deoxypentofuranuronosyl)-5-fluoropyrimidine-2,4(1h,3h)-dione
Basic information
- CAS
20105-69-5- Standard SMILES
O=C(O)C1OC(n2cc(F)c(=O)[nH]c2=O)CC1O- InChIKey
OHKLEIJCOJXRTB-UHFFFAOYSA-N- Molecular formula
- C9H9FN2O6
- Average molar mass
- 260.18 g/mol
- Monoisotopic mass
- 260.04446417
Names & identifiers
- Preferred name
- 1-(2-Deoxypentofuranuronosyl)-5-fluoropyrimidine-2,4(1h,3h)-dione
- IUPAC
- 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolane-2-carboxylic acid
Names & synonyms
20105-69-5FUDA1-(2-deoxypentofuranuronosyl)-5-fluoropyrimidine-2,4(1h,3h)-dioneNCIOpen2_007248CHEMBL1994571SCHEMBL11560994DTXSID80295654NSC103704NSC200693NSC-103704NSC-200693NCI60_000089
Show more names
1,2-Dideoxy-1-(5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-|A-D-erythro-pentofuranuronicacid
Database identifiers
- CAS
20105-69-5、65732-44-7- PubChem CID
- 266285
- DTXSID
DTXSID80295654- ChEMBL
CHEMBL1994571
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 450
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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