ISDA: 30JS

Structural Complex

Chemical ID: A1J6T

IUPAC Name: Dioxidovanadium(V) lactate complex

Formal Charge: ?

Type: non-polymer

Physiochemical Descriptor:

Formula: C6 H8 O10 V2

Molecular weight: 342.005

Hydrogen Bond Acceptor: 6

Hydrogen Bond Donor: 0

Rotatable Bonds: 6

Heavy Atoms: 18

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	2.0.7	(5~{S},10~{S})-5,10-dimethyl-2,2,7,7-tetrakis(oxidanylidene)-1$l^{3},3,6$l^{3},8-tetraoxa-2$l^{7},7$l^{7}-divanadatricyclo[5.3.0.0^{2,6}]decane-4,9-dione

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/2C3H5O3.4O.2V/c21-2(4)3(5)6;;;;;;/h22H,1H3,(H,5,6);;;;;;/q;;;;;;2+1/p-2/t22-;;;;;;/m00....../s1
InChIKey	InChI	1.06	ABCJDXWRBRTDDV-VFGZHDCSSA-L
SMILES_CANONICAL	CACTVS	3.385	C[C@@H]1O[V](=O)(=O)OC(=O)[C@H](C)O[V](=O)(=O)OC1=O
SMILES	CACTVS	3.385	C[CH]1O[V](=O)(=O)OC(=O)[CH](C)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[C@H](C(=O)O3)C
SMILES	OpenEye OEToolkits	2.0.7	CC1C(=O)O[V]2(=O)(=O)O1[V]3(=O)(=O)O2C(C(=O)O3)C