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- ChemComp-F5I: cis-bis(mi2-acetato-O, O')-tetraaquo-dirhodium(II) -

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Basic information

EntryDatabase: PDB chemical components / ID: F5I
NameName: cis-bis(mi2-acetato-O, O')-tetraaquo-dirhodium(ii)

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Chemical information

Composition
Formula: C4H12O8Rh2 / Number of atoms: 26 / Formula weight: 393.944 / Formal charge: 2
Others

7qpw

Type: non-polymer / PDB classification: HETAIN / Three letter code: F5I / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7QPW
History
Create componentJan 19, 2022
Modify synonymsFeb 16, 2022
Modify nameFeb 16, 2022
Modify chargeFeb 16, 2022
Modify synonymsFeb 17, 2022
Initial releaseMar 2, 2022
Modify descriptorAug 22, 2022
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+](O)(O)O[CH](C)O[Rh+](O)(O)O1
OpenEye OEToolkits 2.0.7CC1O[Rh+]2(OC(O[Rh+]2(O1)(O)O)C)(O)O

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SMILES CANONICAL

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

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InChI

InChI 1.06InChI=1S/2C2H4O2.4H2O.2Rh/c2*1-2(3)4;;;;;;/h2*2H,1H3;4*1H2;;/q2*-2;;;;;2*+5/p-4

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InChIKey

InChI 1.06CSLTZVJRVCYCAM-UHFFFAOYSA-J

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PDB entries

Showing all 3 items

PDB-7qpw:
X-ray structure of the adduct obtained upon reaction of [cis-Rh2(OCOCH3)2(OCOCF3)2] with RNase A (1)

PDB-7qpy:
X-ray structure of the adduct obtained upon reaction of [cis-Rh2(OCOCH3)2(OCOCF3)2] with RNase A (3)

PDB-7qpz:
X-ray structure of the adduct obtained upon reaction of [cis-Rh2(OCOCH3)2(OCOCF3)2] with RNase A (4)

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