copper;acetaldehyde;bis((2S,3R)-2-amino-3-hydroxybutanoate)

C16H32CuN2O10 — CID 22828914

IUPACcopper;acetaldehyde;bis((2S,3R)-2-amino-3-hydroxybutanoate)
SMILESCC=O.CC=O.CC=O.CC=O.C[C@@H](O)[C@H](N)C(=O)[O-].C[C@@H](O)[C@H](N)C(=O)[O-].[Cu+2]
InChIInChI=1S/2C4H9NO3.4C2H4O.Cu/c2*1-2(6)3(5)4(7)8;4*1-2-3;/h2*2-3,6H,5H2,1H3,(H,7,8);4*2H,1H3;/q;;;;;;+2/p-2/t2*2-,3+;;;;;/m11...../s1
InChIKeyGGXRASBOUSYBJT-FRHHVAERSA-L
MW475.98 g/mol
LogP-4.29
Rot. Bonds4

About copper;acetaldehyde;bis((2S,3R)-2-amino-3-hydroxybutanoate)

copper;acetaldehyde;bis((2S,3R)-2-amino-3-hydroxybutanoate) (PubChem CID 22828914) has the molecular formula C16H32CuN2O10 and a molecular weight of 475.98 g/mol. Its IUPAC name is copper;acetaldehyde;bis((2S,3R)-2-amino-3-hydroxybutanoate).

Molecular Properties

Compound Namecopper;acetaldehyde;bis((2S,3R)-2-amino-3-hydroxybutanoate)
PubChem CID22828914
Molecular FormulaC16H32CuN2O10
Molecular Weight475.98 g/mol
Exact Mass475.14
IUPAC Namecopper;acetaldehyde;bis((2S,3R)-2-amino-3-hydroxybutanoate)
SMILESCC=O.CC=O.CC=O.CC=O.C[C@@H](O)[C@H](N)C(=O)[O-].C[C@@H](O)[C@H](N)C(=O)[O-].[Cu+2]
InChIInChI=1S/2C4H9NO3.4C2H4O.Cu/c2*1-2(6)3(5)4(7)8;4*1-2-3;/h2*2-3,6H,5H2,1H3,(H,7,8);4*2H,1H3;/q;;;;;;+2/p-2/t2*2-,3+;;;;;/m11...../s1
InChIKeyGGXRASBOUSYBJT-FRHHVAERSA-L
XLogP-4.29
TPSA241.04 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.98
LogP ≤ 5-4.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

magnesium bis((2S,3R)-2-amino-3-hydroxybutanoate)
CID 156579837
bis((2S,3R)-2-amino-3-hydroxybutanoate);iron(2+)
CID 175941555
2-amino-3-methylbutanoate
CID 5460778
bismuth tris(2-amino-3-methylbutanoate)
CID 173224363
copper bis(2-hydroxypropanoate)
CID 13145
(2S)-2-aminopropanoate
CID 5460980
disodium;2,3-diaminobutanedioate
CID 87704477
(2R,3S)-2-amino-3-hydroxybutanamide
CID 22877840
(2S,3R)-2-amino-3-hydroxybutanoic acid
CID 158974218
copper;bis((2S,3S)-2-amino-3-methylpentanoate);hydrate
CID 139146135
potassium 2-aminopropanoate
CID 21339510
bis((2S)-2-aminopropanoate);palladium(2+)
CID 86639208

Frequently Asked Questions

What is the IUPAC name of copper;acetaldehyde;bis((2S,3R)-2-amino-3-hydroxybutanoate)?
The IUPAC name of copper;acetaldehyde;bis((2S,3R)-2-amino-3-hydroxybutanoate) (CID 22828914) is copper;acetaldehyde;bis((2S,3R)-2-amino-3-hydroxybutanoate).
What is the SMILES notation for copper;acetaldehyde;bis((2S,3R)-2-amino-3-hydroxybutanoate)?
The canonical SMILES for copper;acetaldehyde;bis((2S,3R)-2-amino-3-hydroxybutanoate) is CC=O.CC=O.CC=O.CC=O.C[C@@H](O)[C@H](N)C(=O)[O-].C[C@@H](O)[C@H](N)C(=O)[O-].[Cu+2].
What is the InChIKey of copper;acetaldehyde;bis((2S,3R)-2-amino-3-hydroxybutanoate)?
The InChIKey is GGXRASBOUSYBJT-FRHHVAERSA-L. The full InChI is InChI=1S/2C4H9NO3.4C2H4O.Cu/c2*1-2(6)3(5)4(7)8;4*1-2-3;/h2*2-3,6H,5H2,1H3,(H,7,8);4*2H,1H3;/q;;;;;;+2/p-2/t2*2-,3+;;;;;/m11...../s1.
What are the key properties of copper;acetaldehyde;bis((2S,3R)-2-amino-3-hydroxybutanoate)?
copper;acetaldehyde;bis((2S,3R)-2-amino-3-hydroxybutanoate) has a molecular weight of 475.98 g/mol, XLogP of -4.29, 4 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for copper;acetaldehyde;bis((2S,3R)-2-amino-3-hydroxybutanoate) is sourced from PubChem (CID 22828914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).