5-(2-Chloroethyl)-2'-fluoroarabinofuranosyluracil
Basic information
- CAS
90301-73-8- Standard SMILES
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)cc1CCCl- InChIKey
ABXZJZASTZBCFC-IBCQBUCCSA-N- Molecular formula
- C11H14ClFN2O5
- Average molar mass
- 308.69 g/mol
- Monoisotopic mass
- 308.0575274
Overview
structure given in first source
Names & identifiers
- Preferred name
- 5-(2-Chloroethyl)-2'-fluoroarabinofuranosyluracil
- IUPAC
- 5-(2-chloroethyl)-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
- English name
- 5-(2-chloroethyl)-2'-fluoroarabinofuranosyluracil
- Molecular weight
- 0
Names & synonyms
CEFAU90301-73-85-(2-Chloroethyl)-2'-fluoroarabinofuranosyluracilDTXSID40238087RefChem:101599DTXCID60160578CHEMBL3143093SCHEMBL110400135-(2-Chloroethyl)-1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione5-(2-Chloroethyl)-1-(2-deoxy-2-fluoro-.beta.-D-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione5-(2-chloroethyl)-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
Database identifiers
- CAS
90301-73-8- PubChem CID
- 146152
- DTXSID
DTXSID40238087- ChEMBL
CHEMBL3143093
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 447
Physicochemical properties
- Comptox DTXSID
- 40238087 · DTXSID40238087
- HS Code
- 2934999090 · 2934999090
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
- hs_code
- 2934999090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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