copper(1+);2,3-dihydroxybutanedioate;hydrate

C4H6CuO7- — CID 22034457

IUPACcopper(1+);2,3-dihydroxybutanedioate;hydrate
SMILESO.O=C([O-])C(O)C(O)C(=O)[O-].[Cu+]
InChIInChI=1S/C4H6O6.Cu.H2O/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;1H2/q;+1;/p-2
InChIKeyMFGDMKUBBCPNPW-UHFFFAOYSA-L
MW229.63 g/mol
LogP-5.62
Rot. Bonds3

About copper(1+);2,3-dihydroxybutanedioate;hydrate

copper(1+);2,3-dihydroxybutanedioate;hydrate (PubChem CID 22034457) has the molecular formula C4H6CuO7- and a molecular weight of 229.63 g/mol. Its IUPAC name is copper(1+);2,3-dihydroxybutanedioate;hydrate.

Molecular Properties

Compound Namecopper(1+);2,3-dihydroxybutanedioate;hydrate
PubChem CID22034457
Molecular FormulaC4H6CuO7-
Molecular Weight229.63 g/mol
Exact Mass228.94
IUPAC Namecopper(1+);2,3-dihydroxybutanedioate;hydrate
SMILESO.O=C([O-])C(O)C(O)C(=O)[O-].[Cu+]
InChIInChI=1S/C4H6O6.Cu.H2O/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;1H2/q;+1;/p-2
InChIKeyMFGDMKUBBCPNPW-UHFFFAOYSA-L
XLogP-5.62
TPSA152.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.63
LogP ≤ 5-5.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

copper;2,3-dihydroxybutanedioate;tetrahydrate
CID 159915205
dibismuth;tris(2,3-dihydroxybutanedioate);hexahydrate
CID 173203823
dicalcium;bis(2,3-dihydroxybutanedioate);tetrahydrate
CID 159194146
calcium;2,3-dihydroxybutanedioate;hydrate
CID 161409159
2,3-dihydroxybutanedioate
CID 19608871
dipotassium;(2R,3S)-2,3-dihydroxybutanedioate
CID 6452017
dibismuth;tris((2R,3R)-2,3-dihydroxybutanedioate)
CID 3080629
2,3-dihydroxybutanedioate;manganese(2+)
CID 22027285
azanium;2,3-dihydroxybutanedioate;iron(3+)
CID 22027283
calcium;carbonic acid;2,3-dihydroxybutanedioate
CID 158616443
magnesium;disodium;2,3-dihydroxybutanedioate;(2R,3R)-2,3-dihydroxybutanedioate
CID 6452716
azanium;cerium(3+);2,3-dihydroxybutanedioate;(2R,3R)-2,3-dihydroxybutanedioate
CID 90475534

Frequently Asked Questions

What is the IUPAC name of copper(1+);2,3-dihydroxybutanedioate;hydrate?
The IUPAC name of copper(1+);2,3-dihydroxybutanedioate;hydrate (CID 22034457) is copper(1+);2,3-dihydroxybutanedioate;hydrate.
What is the SMILES notation for copper(1+);2,3-dihydroxybutanedioate;hydrate?
The canonical SMILES for copper(1+);2,3-dihydroxybutanedioate;hydrate is O.O=C([O-])C(O)C(O)C(=O)[O-].[Cu+].
What is the InChIKey of copper(1+);2,3-dihydroxybutanedioate;hydrate?
The InChIKey is MFGDMKUBBCPNPW-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H6O6.Cu.H2O/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;1H2/q;+1;/p-2.
What are the key properties of copper(1+);2,3-dihydroxybutanedioate;hydrate?
copper(1+);2,3-dihydroxybutanedioate;hydrate has a molecular weight of 229.63 g/mol, XLogP of -5.62, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);2,3-dihydroxybutanedioate;hydrate is sourced from PubChem (CID 22034457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).