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Clofarabine Impurity 30

CAT: 1299-RM-C123030-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C123030-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
97614-43-2
Synonyms
(2R,3S,4R,5R) -5- ((benzoyloxy) methyl) -3-fluorotetrahydrofuran-2,4-diyl dibenzoate
Molecular Formula
C26H21FO7
Molecular Weight
464.45
Target Alternative Name
Clofarabine

Chemical Information

alpha-D-Arabinofuranose, 2-deoxy-2-fluoro-, 1,3,5-tribenzoate
CAS Number97614-43-2
PubChem CID11754171
IUPAC Name[(2R,3R,4S,5R)-3,5-dibenzoyloxy-4-fluorooxolan-2-yl]methyl benzoate
Molecular FormulaC26H21FO7
Molecular Weight464.4
XLogP5.2
Topological Polar Surface Area88.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count34
Formal Charge0
Complexity695
SMILES
C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H](O2)OC(=O)C3=CC=CC=C3)F)OC(=O)C4=CC=CC=C4
InChI
InChI=1S/C26H21FO7/c27-21-22(33-24(29)18-12-6-2-7-13-18)20(16-31-23(28)17-10-4-1-5-11-17)32-26(21)34-25(30)19-14-8-3-9-15-19/h1-15,20-22,26H,16H2/t20-,21+,22-,26-/m1/s1
InChIKey
JOAHVPNLVYCSAN-UXGLMHHASA-N
Chemical Structure
2D Structure
2D structure of alpha-D-Arabinofuranose, 2-deoxy-2-fluoro-, 1,3,5-tribenzoate
CAS: 97614-43-2
CID: 11754171
Formula: C26H21FO7
MW: 464.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight464.4
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass464.12713117
Monoisotopic Mass464.12713117
Topological Polar Surface Area88.1 Ų
Heavy Atom Count34
Formal Charge0
Complexity695
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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