Chemical Components in the PDB

pdbe.org/chem
spacer

2H5 : Summary

Code

2H5

One-letter code

X

Molecule name

3-deoxy-3-fluoro-beta-D-galactopyranose

Systematic names

ProgramVersionName
ACDLabs 12.01 3-deoxy-3-fluoro-beta-D-galactopyranose
OpenEye OEToolkits 1.7.6 (2R,3S,4S,5S,6R)-4-fluoranyl-6-(hydroxymethyl)oxane-2,3,5-triol

Formula

C6 H11 F O5

Formal charge

0

Molecular weight

182.147 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 FC1C(O)C(OC(O)C1O)CO
SMILES CACTVS 3.385 OC[CH]1O[CH](O)[CH](O)[CH](F)[CH]1O
SMILES OpenEye OEToolkits 1.7.6 C(C1C(C(C(C(O1)O)O)F)O)O
Canonical SMILES CACTVS 3.385 OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](F)[C@H]1O
Canonical SMILES OpenEye OEToolkits 1.7.6 C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O

IUPAC InChI

InChI=1S/C6H11FO5/c7-3-4(9)2(1-8)12-6(11)5(3)10/h2-6,8-11H,1H2/t2-,3+,4+,5-,6-/m1/s1

IUPAC InChI key

BUMRBAMACDBPKO-FPRJBGLDSA-N
2H5

wwPDB Information

Atom count

23 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-10-18

Last modified at

2014-01-31

Status

Released

Obsoleted

Not Assigned