Basic information
- CAS
123402-20-0- Standard SMILES
Nc1ccn([C@@H]2O[C@H](CO)[C@@H](F)[C@H]2O)c(=O)n1- InChIKey
PKOBNLOZXOHYOP-XVFCMESISA-N- Molecular formula
- C9H12FN3O4
- Average molar mass
- 245.21 g/mol
- Monoisotopic mass
- 245.08118403
Names & identifiers
- Preferred name
- 3'-Fluoro-3'-deoxycytidine
- IUPAC
- 4-amino-1-[(2R,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
- English name
- 3'-Fluoro-3'-deoxycytidine
- Molecular formula
- C9H12FN3O4
- Molecular weight
- 245.21
Names & synonyms
3'-Fluoro-3'-deoxycytidine123402-20-0Cytidine, 3'-deoxy-3'-fluoro-3'-deoxy-3'-fluorocytidine4-amino-1-[(2R,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one3/'-Fluoro-3/'-deoxycytidine4-amino-1-((2R,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one4-amino-1-[(2R,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one3-Deoxy-3-fluorocytidine4-amino-1-[(2R,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-oneMFCD201340423'-F-3'-deoxy-cytidine
Show more names
3’-Deoxy-3’-fluorocytidine3′-Deoxy-3′-fluorocytidine (ACI)3'-Deoxy-3'-fluorocytidine, Antiviral agent
1-(3-Deoxy-3-fluoro-beta-D-ribofuranosyl)thymineorb1908958SCHEMBL1737621DTXSID50154007TNU00063'-F-3'-DcAKOS016006084ND15613
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 386
Physicochemical properties
- Melting point
- 221 · 221-223 °C
- Boiling point
- 500.1 · 500.1±60.0 °C(Predicted)
- Density
- 1.82 · 1.82±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 12.81 · 12.81±0.70(Predicted)
- InChI
- InChI=1S/C9H12FN3O4/c10-6-4(3-14)17-8(7(6)15)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6-,7-,8-/m1/s1
- InChIKey
- PKOBNLOZXOHYOP-XVFCMESISA-N
- SMILES
- OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1F
Chemistry & industry
Applications
Uses3''-Deoxy-3''-fluorocytidine is a cytidine derivative which provides minor antiviral and cytostatic properties.
Upstream & downstream products
Upstream raw materials
Suppliers43 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [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
No reaction records under the current filter.
Compound notes
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