magnesium;copper;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)

C12H22CuMgO14 — CID 173373103

IUPACmagnesium;copper;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
SMILESO=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Cu].[Mg+2]
InChIInChI=1S/2C6H12O7.Cu.Mg/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;;/h2*2-5,7-11H,1H2,(H,12,13);;/q;;;+2/p-2/t2*2-,3-,4+,5-;;/m11../s1
InChIKeyVXKJXOHYQMSUNQ-XRDLMGPZSA-L
MW478.15 g/mol
LogP-10.04
Rot. Bonds10

About magnesium;copper;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)

magnesium;copper;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate) (PubChem CID 173373103) has the molecular formula C12H22CuMgO14 and a molecular weight of 478.15 g/mol. Its IUPAC name is magnesium;copper;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate).

Molecular Properties

Compound Namemagnesium;copper;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
PubChem CID173373103
Molecular FormulaC12H22CuMgO14
Molecular Weight478.15 g/mol
Exact Mass477.02
IUPAC Namemagnesium;copper;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
SMILESO=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Cu].[Mg+2]
InChIInChI=1S/2C6H12O7.Cu.Mg/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;;/h2*2-5,7-11H,1H2,(H,12,13);;/q;;;+2/p-2/t2*2-,3-,4+,5-;;/m11../s1
InChIKeyVXKJXOHYQMSUNQ-XRDLMGPZSA-L
XLogP-10.04
TPSA282.56 Ų
H-Bond Donors10
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500478.15
LogP ≤ 5-10.04
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1014

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Related Compounds

dimagnesium;tetrakis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
CID 162352604
magnesium bis((2R,3S,4R,5R)-2,3,4,5,6,7-hexahydroxyheptanoate)
CID 21118505
(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 5460054
CID 23618074
CID 23618074
iron(3+);tris((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
CID 656646
potassium (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 16760467
CID 171700327
CID 171700327
azanium (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate
CID 71587380
strontium bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
CID 23618905
indium(3+);tris((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
CID 24815492
dizinc;tetrakis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
CID 175791936
aluminum (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 21124159

Frequently Asked Questions

What is the IUPAC name of magnesium;copper;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)?
The IUPAC name of magnesium;copper;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate) (CID 173373103) is magnesium;copper;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate).
What is the SMILES notation for magnesium;copper;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)?
The canonical SMILES for magnesium;copper;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate) is O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Cu].[Mg+2].
What is the InChIKey of magnesium;copper;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)?
The InChIKey is VXKJXOHYQMSUNQ-XRDLMGPZSA-L. The full InChI is InChI=1S/2C6H12O7.Cu.Mg/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;;/h2*2-5,7-11H,1H2,(H,12,13);;/q;;;+2/p-2/t2*2-,3-,4+,5-;;/m11../s1.
What are the key properties of magnesium;copper;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)?
magnesium;copper;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate) has a molecular weight of 478.15 g/mol, XLogP of -10.04, 10 rotatable bonds, 10 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;copper;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate) is sourced from PubChem (CID 173373103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).