Chemical Components in the PDB

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7PR : Summary

Code

7PR

One-letter code

X

Molecule name

praseodymium triacetate

Systematic names

ProgramVersionName
ACDLabs 12.01 praseodymium triacetate
OpenEye OEToolkits 2.0.6 triacetyloxypraseodymium

Formula

C6 H9 O6 Pr

Formal charge

0

Molecular weight

318.04 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C(=O)(C)O[Pr](OC(C)=O)OC(=O)C
SMILES CACTVS 3.385 CC(=O)O[Pr](OC(C)=O)OC(C)=O
SMILES OpenEye OEToolkits 2.0.6 CC(=O)O[Pr](OC(=O)C)OC(=O)C
Canonical SMILES CACTVS 3.385 CC(=O)O[Pr](OC(C)=O)OC(C)=O
Canonical SMILES OpenEye OEToolkits 2.0.6 CC(=O)O[Pr](OC(=O)C)OC(=O)C

IUPAC InChI

InChI=1S/3C2H4O2.Pr/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3

IUPAC InChI key

KPXRPRLCONABEG-UHFFFAOYSA-K
7PR

wwPDB Information

Atom count

22 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-09-26

Last modified at

2018-01-19

Status

Released

Obsoleted

Not Assigned