Chemical Components in the PDB

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C5X : Summary

Code

C5X

One-letter code

X

Molecule name

3-[(2R)-oxiran-2-yl]propyl beta-D-xylopyranoside

Synonyms

4,5-EPOXYPENTYL-BETA-D-XYLOSIDE
3-[(2R)-oxiran-2-yl]propyl beta-D-xyloside
3-[(2R)-oxiran-2-yl]propyl D-xyloside
3-[(2R)-oxiran-2-yl]propyl xyloside

Systematic names

ProgramVersionName
ACDLabs 10.04 3-[(2R)-oxiran-2-yl]propyl beta-D-xylopyranoside
OpenEye OEToolkits 1.5.0 (2R,3R,4S,5R)-2-[3-[(2R)-oxiran-2-yl]propoxy]oxane-3,4,5-triol

Formula

C10 H18 O6

Formal charge

0

Molecular weight

234.246 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O(CCCC1OC1)C2OCC(O)C(O)C2O
SMILES CACTVS 3.341 O[CH]1CO[CH](OCCC[CH]2CO2)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 1.5.0 C1C(O1)CCCOC2C(C(C(CO2)O)O)O
Canonical SMILES CACTVS 3.341 O[C@@H]1CO[C@@H](OCCC[C@@H]2CO2)[C@H](O)[C@H]1O
Canonical SMILES OpenEye OEToolkits 1.5.0 C1[C@H](O1)CCCO[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O

IUPAC InChI

InChI=1S/C10H18O6/c11-7-5-16-10(9(13)8(7)12)14-3-1-2-6-4-15-6/h6-13H,1-5H2/t6-,7-,8+,9-,10-/m1/s1

IUPAC InChI key

DMNHSULDBMDHLY-HOTMZDKISA-N
C5X

wwPDB Information

Atom count

34 (16 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide

Type code

ATOMS

Is modified

Yes

Standard parent

XYP

Defined at

1999-07-08

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned