3'-Deoxy-3'-fluorouridine

HCID 451602

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 57944-13-5
Standard SMILES: O=c1ccn([C@@H]2O[C@H](CO)[C@@H](F)[C@H]2O)c(=O)[nH]1
InChIKey: FVBOTRDLABQYMI-XVFCMESISA-N
Molecular formula: C9H11FN2O5
Average molar mass: 246.19 g/mol
Monoisotopic mass: 246.06519962

Names & identifiers

Preferred name: 3'-Deoxy-3'-fluorouridine
IUPAC: 1-[(2R,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
English name: 3′-Deoxy-3′-fluorouridine
Molecular formula: C9H11FN2O5
Molecular weight: 246.19

Names & synonyms

3'-Deoxy-3'-fluorouridine3'-Fluoro-3'-deoxyuridineUridine, 3'-deoxy-3'-fluoro-1-(3-Deoxy-3-fluoro-beta-D-ribofuranosyl)uracilDTXSID80206649RefChem:269392DTXCID6012914057944-13-51-((2R,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dioneMFCD026839871-[(2R,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione1-[(2R,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

Show more names

3'-F-3'-dUCAINDEXNAME3'-F-3'-deoxy-uridine3’-Deoxy-3’-fluorouridine3'-fluoro-3'-desoxyuridineCAINDEXNAME:URIDINE,3'-DEOXY-3'-FLUOROCAINDEXNAME:URIDINE,3'-DEOXY-3'-FLUORO USP/EP/BP

1-[(2R,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione3Deoxy-3fluorouridine3'-deoxy-3'-fluoro-uridine3??-Deoxy-3??-fluorouridineorb1908960SCHEMBL1739821CHEMBL2311159TNU0004

Database identifiers

CAS: 57944-13-5
PubChem CID: 451602
DTXSID: DTXSID80206649
ChEMBL: CHEMBL2311159
Nikkaji: J420.466B

Properties

Computed structural properties

XLogP: -1.5
Topological polar surface area: 99.1 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 374

Physicochemical properties

Density: 1.63 · 1.63±0.1 g/cm3(Predicted)
pka: 9.39 · 9.39±0.10(Predicted)
form: Solid
color: White to off-white
InChI: InChI=1S/C9H11FN2O5/c10-6-4(3-13)17-8(7(6)15)12-2-1-5(14)11-9(12)16/h1-2,4,6-8,13,15H,3H2,(H,11,14,16)/t4-,6-,7-,8-/m1/s1
InChIKey: FVBOTRDLABQYMI-XVFCMESISA-N
SMILES: OC[C@H]1O[C@@H](N2C=CC(=O)NC2=O)[C@H](O)[C@@H]1F
CAS DataBase Reference: 57944 · 57944-13-5
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319
Precautionary statements: 501 · P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319
Precautionary statements: P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330

Chemistry & industry

Applications · 2 items

Description3′-Deoxy-3′-fluorouridine, a compound of utmost significance in the biomedical industry, assumes a pivotal position in the advancement of antiviral pharmaceuticals targeting RNA virus-associated ailments. This exceptional product showcases its robust antiviral efficacy against a multitude of viruses. Through the powerful mechanism of inhibiting viral replication, 3'-Deoxy-3'-fluorouridine emerges as a propitious contender in the ongoing battle against these formidable infectious maladies.

Uses3''-Deoxy-3''-fluorouridine is a uridine derivative and is useful in the study of E. Coli. Also, a reagent in the design of hepatitis C antviral agents.

Suppliers63 total

Zhengzhou Chemprize Biotech Co., Ltd.+86-86-0371-56768238 +86-15981919713 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

南京百芙利科技有限责任公司25-25-58740604 15951658055 · [email protected]

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…