copper(1+);2,3-dihydroxy-4-methoxy-4-oxobutanoate

C5H7CuO6 — CID 175450123

IUPACcopper(1+);2,3-dihydroxy-4-methoxy-4-oxobutanoate
SMILESCOC(=O)C(O)C(O)C(=O)[O-].[Cu+]
InChIInChI=1S/C5H8O6.Cu/c1-11-5(10)3(7)2(6)4(8)9;/h2-3,6-7H,1H3,(H,8,9);/q;+1/p-1
InChIKeyAOJNXRRYIJGWSX-UHFFFAOYSA-M
MW226.65 g/mol
LogP-3.37
Rot. Bonds3

About copper(1+);2,3-dihydroxy-4-methoxy-4-oxobutanoate

copper(1+);2,3-dihydroxy-4-methoxy-4-oxobutanoate (PubChem CID 175450123) has the molecular formula C5H7CuO6 and a molecular weight of 226.65 g/mol. Its IUPAC name is copper(1+);2,3-dihydroxy-4-methoxy-4-oxobutanoate.

Molecular Properties

Compound Namecopper(1+);2,3-dihydroxy-4-methoxy-4-oxobutanoate
PubChem CID175450123
Molecular FormulaC5H7CuO6
Molecular Weight226.65 g/mol
Exact Mass225.95
IUPAC Namecopper(1+);2,3-dihydroxy-4-methoxy-4-oxobutanoate
SMILESCOC(=O)C(O)C(O)C(=O)[O-].[Cu+]
InChIInChI=1S/C5H8O6.Cu/c1-11-5(10)3(7)2(6)4(8)9;/h2-3,6-7H,1H3,(H,8,9);/q;+1/p-1
InChIKeyAOJNXRRYIJGWSX-UHFFFAOYSA-M
XLogP-3.37
TPSA106.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.65
LogP ≤ 5-3.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

copper(1+);2,3-dihydroxybutanedioate;hydrate
CID 22034457
2,3-dihydroxybutanedioate
CID 19608871
potassium 4-aminooxy-2,3-dihydroxy-4-oxobutanoate
CID 174636110
2,3-dihydroxybutanedioate;manganese(2+)
CID 22027285
dibismuth;tris((2R,3R)-2,3-dihydroxybutanedioate)
CID 3080629
dipotassium;(2R,3S)-2,3-dihydroxybutanedioate
CID 6452017
methyl (2R,3R)-3-amino-2,3-dihydroxypropanoate
CID 135210741
disodium;2-(1-hydroxy-2-methoxy-2-oxoethyl)butanedioate
CID 24800401
(2S,3R)-2-amino-3-hydroxy-4-methoxy-4-oxobutanoic acid
CID 11008248
azanium 2,3-dihydroxy-4-oxo-4-stibanyloxybutanoate
CID 173395440
methyl (2R)-2-hydroxypropanoate;methyl (2S)-2-hydroxypropanoate
CID 76960533
methyl (2S)-3,3-difluoro-2-hydroxypropanoate
CID 178200832

Frequently Asked Questions

What is the IUPAC name of copper(1+);2,3-dihydroxy-4-methoxy-4-oxobutanoate?
The IUPAC name of copper(1+);2,3-dihydroxy-4-methoxy-4-oxobutanoate (CID 175450123) is copper(1+);2,3-dihydroxy-4-methoxy-4-oxobutanoate.
What is the SMILES notation for copper(1+);2,3-dihydroxy-4-methoxy-4-oxobutanoate?
The canonical SMILES for copper(1+);2,3-dihydroxy-4-methoxy-4-oxobutanoate is COC(=O)C(O)C(O)C(=O)[O-].[Cu+].
What is the InChIKey of copper(1+);2,3-dihydroxy-4-methoxy-4-oxobutanoate?
The InChIKey is AOJNXRRYIJGWSX-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H8O6.Cu/c1-11-5(10)3(7)2(6)4(8)9;/h2-3,6-7H,1H3,(H,8,9);/q;+1/p-1.
What are the key properties of copper(1+);2,3-dihydroxy-4-methoxy-4-oxobutanoate?
copper(1+);2,3-dihydroxy-4-methoxy-4-oxobutanoate has a molecular weight of 226.65 g/mol, XLogP of -3.37, 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-dihydroxy-4-methoxy-4-oxobutanoate is sourced from PubChem (CID 175450123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).