5-Fluorotetrahydropyran Clofarabine
Basic information
- CAS
1093278-53-5- Standard SMILES
OC[C@H]1O[C@@H](Nc2nc(Cl)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)[C@@H](F)[C@@H]1O- InChIKey
YNUCJEWTIBGQOS-MIPSCPIWSA-N- Molecular formula
- C15H18ClF2N5O6
- Average molar mass
- 437.78 g/mol
- Monoisotopic mass
- 437.0913673
Names & identifiers
- Preferred name
- 5-Fluorotetrahydropyran Clofarabine
- IUPAC
- (2R,3R,4S,5R)-5-[[2-chloro-9-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
- English name
- Disaccharides impurities
- Molecular formula
- C15H18ClF2N5O6
- Molecular weight
- 437.78
Names & synonyms
1093278-53-55-Fluorotetrahydropyran ClofarabineDTXSID801108130N-[2-Chloro-9-(2-deoxy-2-fluoro-I(2)-D-arabinofuranosyl)-9H-purin-6-yl]-2-deoxy-2-fluoro-I(2)-D-arabinofuranosylamineClorabine impurity 3Clofarabine Impurity 10Disaccharides impuritiesClofarabine Impurity 10Q: What is Clofarabine Impurity 10 Q: What is the CAS Number of Clofarabine Impurity 10β-D-Arabinofuranosylamine, N-[2-chloro-9-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)-9H-purin-6-yl]-2-deoxy-2-fluoro-
Database identifiers
- CAS
1093278-53-5- PubChem CID
- 165367376
- DTXSID
DTXSID801108130
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 589
Physicochemical properties
- Melting point
- 146 · 146-152 °C
- Boiling point
- 725.1 · 725.1±70.0 °C(Predicted)
- Density
- 2.11 · 2.11±0.1 g/cm3(Predicted)
- pka
- 12.56 · 12.56±0.70(Predicted)
Chemistry & industry
Applications
Uses5-Fluorotetrahydropyran Clofarabine is an impurity of Clofarabine (C586890). Second generation purine nucleoside analog; antimetabolite that inhibits DNA synthesis and resists deamination by adenosine deaminase. Antineoplastic.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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