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X2F : Summary
Code
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X2F
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One-letter code
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X
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Molecule name
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2-deoxy-2-fluoro-alpha-D-xylopyranose
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Synonyms
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2-DEOXY-2-FLUORO XYLOPYRANOSE
2-deoxy-2-fluoro-alpha-D-xylose
2-deoxy-2-fluoro-D-xylose
2-deoxy-2-fluoro-xylose
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Systematic names
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Formula
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C5 H9 F O4
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Formal charge
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0
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Molecular weight
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152.121 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
FC1C(O)C(O)COC1O |
SMILES
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CACTVS |
3.341 |
O[CH]1CO[CH](O)[CH](F)[CH]1O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C1C(C(C(C(O1)O)F)O)O |
Canonical SMILES
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CACTVS |
3.341 |
O[C@@H]1CO[C@H](O)[C@H](F)[C@H]1O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C1[C@H]([C@@H]([C@H]([C@H](O1)O)F)O)O |
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IUPAC InChI | InChI=1S/C5H9FO4/c6-3-4(8)2(7)1-10-5(3)9/h2-5,7-9H,1H2/t2-,3-,4+,5+/m1/s1 |
IUPAC InChI key | YVMHSZGJGHRGOD-MBMOQRBOSA-N |
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wwPDB Information |
Atom count
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19 (10 without Hydrogen)
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Polymer type
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Saccharide
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Type description
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D-saccharide, alpha linking
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Type code
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ATOMS
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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1999-07-08
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Last modified at
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2020-07-17
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Status
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Released
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Obsoleted
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Not Assigned
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