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- ChemComp-VVU: dirhodium (II) tetraacetate -

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Basic information

EntryDatabase: PDB chemical components / ID: VVU
NameName: dirhodium (ii) tetraacetate / Synonyms: Rhodium(II) acetate

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Chemical information

Composition
Formula: C8H16O8Rh2 / Number of atoms: 34 / Formula weight: 446.019 / Formal charge: 4
Others

8oqe

Type: non-polymer / PDB classification: HETAIN / Three letter code: VVU / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8OQE
History
Create componentApr 12, 2023
Modify chargeJun 2, 2023
Initial releaseJun 14, 2023
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385C[CH]1O[Rh++]234O[CH](C)O[Rh++]2(O1)(O[CH](C)O3)O[CH](C)O4
OpenEye OEToolkits 2.0.7CC1O[Rh+2]234OC(O[Rh+2]2(O1)(OC(O3)C)OC(O4)C)C

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SMILES CANONICAL

CACTVS 3.385C[C@H]1O[Rh++]234O[C@H](C)O[Rh++]2(O1)(O[C@H](C)O3)O[C@@H](C)O4
OpenEye OEToolkits 2.0.7CC1O[Rh+2]234OC(O[Rh+2]2(O1)(OC(O3)C)OC(O4)C)C

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InChI

InChI 1.06InChI=1S/4C2H4O2.2Rh/c4*1-2(3)4;;/h4*2H,1H3;;/q4*-2;2*+6

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InChIKey

InChI 1.06XPFNQDMGXDTTDF-UHFFFAOYSA-N

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PDB entries

Showing all 5 items

PDB-8oqc:
Dirhodium tetraacetate/ribonuclease A adduct in the P3221 space group (1 h soaking)

PDB-8oqd:
Dirhodium tetraacetate/ribonuclease A adduct in the P3221 space group (1 h soaking)

PDB-8oqe:
Dirhodium tetraacetate/ribonuclease A adduct in the P3221 space group (6 h soaking)

PDB-8oqf:
Cross-linked crystal of Dirhodium tetraacetate/ribonuclease A adduct in the P3221 space group (low temperature data collection)

PDB-8oqg:
Cross-linked crystal of dirhodium tetraacetate/ribonuclease A adduct in the P3221 space group (high temperature data collection)

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