copper;2,3-dihydroxybutanedioate;tetrahydrate

C4H12CuO10 — CID 159915205

IUPACcopper;2,3-dihydroxybutanedioate;tetrahydrate
SMILESO.O.O.O.O=C([O-])C(O)C(O)C(=O)[O-].[Cu+2]
InChIInChI=1S/C4H6O6.Cu.4H2O/c5-1(3(7)8)2(6)4(9)10;;;;;/h1-2,5-6H,(H,7,8)(H,9,10);;4*1H2/q;+2;;;;/p-2
InChIKeyNXRPCZPHMICAKB-UHFFFAOYSA-L
MW283.68 g/mol
LogP-8.09
Rot. Bonds3

About copper;2,3-dihydroxybutanedioate;tetrahydrate

copper;2,3-dihydroxybutanedioate;tetrahydrate (PubChem CID 159915205) has the molecular formula C4H12CuO10 and a molecular weight of 283.68 g/mol. Its IUPAC name is copper;2,3-dihydroxybutanedioate;tetrahydrate.

Molecular Properties

Compound Namecopper;2,3-dihydroxybutanedioate;tetrahydrate
PubChem CID159915205
Molecular FormulaC4H12CuO10
Molecular Weight283.68 g/mol
Exact Mass282.97
IUPAC Namecopper;2,3-dihydroxybutanedioate;tetrahydrate
SMILESO.O.O.O.O=C([O-])C(O)C(O)C(=O)[O-].[Cu+2]
InChIInChI=1S/C4H6O6.Cu.4H2O/c5-1(3(7)8)2(6)4(9)10;;;;;/h1-2,5-6H,(H,7,8)(H,9,10);;4*1H2/q;+2;;;;/p-2
InChIKeyNXRPCZPHMICAKB-UHFFFAOYSA-L
XLogP-8.09
TPSA246.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.68
LogP ≤ 5-8.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

dibismuth;tris(2,3-dihydroxybutanedioate);hexahydrate
CID 173203823
dicalcium;bis(2,3-dihydroxybutanedioate);tetrahydrate
CID 159194146
copper(1+);2,3-dihydroxybutanedioate;hydrate
CID 22034457
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
sodium;2,3-dihydroxybutanedioate;nickel(2+)
CID 159221608

Frequently Asked Questions

What is the IUPAC name of copper;2,3-dihydroxybutanedioate;tetrahydrate?
The IUPAC name of copper;2,3-dihydroxybutanedioate;tetrahydrate (CID 159915205) is copper;2,3-dihydroxybutanedioate;tetrahydrate.
What is the SMILES notation for copper;2,3-dihydroxybutanedioate;tetrahydrate?
The canonical SMILES for copper;2,3-dihydroxybutanedioate;tetrahydrate is O.O.O.O.O=C([O-])C(O)C(O)C(=O)[O-].[Cu+2].
What is the InChIKey of copper;2,3-dihydroxybutanedioate;tetrahydrate?
The InChIKey is NXRPCZPHMICAKB-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H6O6.Cu.4H2O/c5-1(3(7)8)2(6)4(9)10;;;;;/h1-2,5-6H,(H,7,8)(H,9,10);;4*1H2/q;+2;;;;/p-2.
What are the key properties of copper;2,3-dihydroxybutanedioate;tetrahydrate?
copper;2,3-dihydroxybutanedioate;tetrahydrate has a molecular weight of 283.68 g/mol, XLogP of -8.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2,3-dihydroxybutanedioate;tetrahydrate is sourced from PubChem (CID 159915205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).