Chemical Components in the PDB

pdbe.org/chem
spacer

2DR : Summary

Code

2DR

One-letter code

X

Molecule name

2-deoxy-beta-D-erythro-pentofuranose

Systematic names

ProgramVersionName
ACDLabs 10.04 2-deoxy-beta-D-erythro-pentofuranose
OpenEye OEToolkits 1.6.1 (2R,4S,5R)-5-(hydroxymethyl)oxolane-2,4-diol

Formula

C5 H10 O4

Formal charge

0

Molecular weight

134.13 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 OCC1OC(O)CC1O
SMILES CACTVS 3.352 OC[CH]1O[CH](O)C[CH]1O
SMILES OpenEye OEToolkits 1.6.1 C1C(C(OC1O)CO)O
Canonical SMILES CACTVS 3.352 OC[C@H]1O[C@@H](O)C[C@@H]1O
Canonical SMILES OpenEye OEToolkits 1.6.1 C1[C@@H]([C@H](O[C@H]1O)CO)O

IUPAC InChI

InChI=1S/C5H10O4/c6-2-4-3(7)1-5(8)9-4/h3-8H,1-2H2/t3-,4+,5+/m0/s1

IUPAC InChI key

PDWIQYODPROSQH-VPENINKCSA-N
2DR

wwPDB Information

Atom count

19 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2009-07-20

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned