Structural Complex
Chemical ID: A1J62
IUPAC Name: Trinuclear vanadium-lactate complex
Formal Charge: ?
Type: non-polymer
Physiochemical Descriptor:
Formula: C6 H8 O13 V3
Molecular weight: 440.944
Hydrogen Bond Acceptor:
Hydrogen Bond Donor:
Rotatable Bonds:
Heavy Atoms:
Systematic name
Program Version Descriptor
Chemical Descriptors
Type Program Version Descriptor
InChI InChI 1.06 InChI=1S/2C3H5O3.7O.3V/c2*1-2(4)3(5)6;;;;;;;;;;/h2*2H,1H3,(H,5,6);;;;;;;;;;/q;;;;;;;;;;2*+1/p-2/t2*2-;;;;;;;;;;/m10........../s1
InChIKey InChI 1.06 YGPNZILZVFAEDM-AZTMKNMFSA-L
SMILES_CANONICAL CACTVS 3.385 C[C@H]1O[V](=O)(=O)O[C@@H](C)C(=O)O[V](=O)(=O)O[V](=O)(=O)OC1=O
SMILES CACTVS 3.385 C[CH]1O[V](=O)(=O)O[CH](C)C(=O)O[V](=O)(=O)O[V](=O)(=O)OC1=O
SMILES_CANONICAL OpenEye OEToolkits 2.0.7 C[C@@H]1C(=O)O[V]2(=O)(=O)O1[V]3(=O)(=O)O2[V]4(=O)(=O)O3[C@H](C(=O)O4)C
SMILES OpenEye OEToolkits 2.0.7 CC1C(=O)O[V]2(=O)(=O)O1[V]3(=O)(=O)O2[V]4(=O)(=O)O3C(C(=O)O4)C
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