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- ChemComp-6VV: (1~{R},2~{R})-cyclopentane-1,2-diol -

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Basic information

EntryDatabase: PDB chemical components / ID: 6VV
NameName: (1~{R},2~{R})-cyclopentane-1,2-diol

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Chemical information

Composition
Formula: C5H10O2 / Number of atoms: 17 / Formula weight: 102.132 / Formal charge: 0
Others

5gkw

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 6VV / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5GKW
History
Create componentJul 8, 2016
Initial releaseJul 12, 2017
External linksUniChem / ChemSpider / Brenda / ChemicalBook / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / 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 3.385O[CH]1CCC[CH]1O
OpenEye OEToolkits 2.0.5C1CC(C(C1)O)O

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SMILES CANONICAL

CACTVS 3.385O[C@@H]1CCC[C@H]1O
OpenEye OEToolkits 2.0.5C1C[C@H]([C@@H](C1)O)O

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InChI

InChI 1.03InChI=1S/C5H10O2/c6-4-2-1-3-5(4)7/h4-7H,1-3H2/t4-,5-/m1/s1

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InChIKey

InChI 1.03VCVOSERVUCJNPR-RFZPGFLSSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.5(1~{R},2~{R})-cyclopentane-1,2-diol

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PDB entries

Showing all 1 items

PDB-5gkw:
crystal structure of SZ529 complex with (R,R)-cyclopentanediol

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