Chemical Components in the PDB

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X2F : Summary

Code

X2F

One-letter code

X

Molecule name

2-deoxy-2-fluoro-alpha-D-xylopyranose

Synonyms

2-DEOXY-2-FLUORO XYLOPYRANOSE
2-deoxy-2-fluoro-alpha-D-xylose
2-deoxy-2-fluoro-D-xylose
2-deoxy-2-fluoro-xylose

Systematic names

ProgramVersionName
ACDLabs 10.04 2-deoxy-2-fluoro-alpha-D-xylopyranose
OpenEye OEToolkits 1.5.0 (2S,3R,4S,5R)-3-fluorooxane-2,4,5-triol

Formula

C5 H9 F O4

Formal charge

0

Molecular weight

152.121 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 FC1C(O)C(O)COC1O
SMILES CACTVS 3.341 O[CH]1CO[CH](O)[CH](F)[CH]1O
SMILES OpenEye OEToolkits 1.5.0 C1C(C(C(C(O1)O)F)O)O
Canonical SMILES CACTVS 3.341 O[C@@H]1CO[C@H](O)[C@H](F)[C@H]1O
Canonical SMILES OpenEye OEToolkits 1.5.0 C1[C@H]([C@@H]([C@H]([C@H](O1)O)F)O)O

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
X2F

wwPDB Information

Atom count

19 (10 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide, alpha linking

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned