lithium;sodium;acetic acid;copper;bis(2,3-dihydroxybutanedioic acid);hydride

C10H18CuLiNaO14 — CID 173404897

IUPAClithium;sodium;acetic acid;copper;bis(2,3-dihydroxybutanedioic acid);hydride
SMILESCC(=O)O.O=C(O)C(O)C(O)C(=O)O.O=C(O)C(O)C(O)C(=O)O.[Cu].[H-].[H-].[Li+].[Na+]
InChIInChI=1S/2C4H6O6.C2H4O2.Cu.Li.Na.2H/c2*5-1(3(7)8)2(6)4(9)10;1-2(3)4;;;;;/h2*1-2,5-6H,(H,7,8)(H,9,10);1H3,(H,3,4);;;;;/q;;;;2*+1;2*-1
InChIKeySNBXWKHHQFESSQ-UHFFFAOYSA-N
MW455.72 g/mol
LogP-9.92
Rot. Bonds6

About lithium;sodium;acetic acid;copper;bis(2,3-dihydroxybutanedioic acid);hydride

lithium;sodium;acetic acid;copper;bis(2,3-dihydroxybutanedioic acid);hydride (PubChem CID 173404897) has the molecular formula C10H18CuLiNaO14 and a molecular weight of 455.72 g/mol. Its IUPAC name is lithium;sodium;acetic acid;copper;bis(2,3-dihydroxybutanedioic acid);hydride.

Molecular Properties

Compound Namelithium;sodium;acetic acid;copper;bis(2,3-dihydroxybutanedioic acid);hydride
PubChem CID173404897
Molecular FormulaC10H18CuLiNaO14
Molecular Weight455.72 g/mol
Exact Mass455.01
IUPAC Namelithium;sodium;acetic acid;copper;bis(2,3-dihydroxybutanedioic acid);hydride
SMILESCC(=O)O.O=C(O)C(O)C(O)C(=O)O.O=C(O)C(O)C(O)C(=O)O.[Cu].[H-].[H-].[Li+].[Na+]
InChIInChI=1S/2C4H6O6.C2H4O2.Cu.Li.Na.2H/c2*5-1(3(7)8)2(6)4(9)10;1-2(3)4;;;;;/h2*1-2,5-6H,(H,7,8)(H,9,10);1H3,(H,3,4);;;;;/q;;;;2*+1;2*-1
InChIKeySNBXWKHHQFESSQ-UHFFFAOYSA-N
XLogP-9.92
TPSA267.42 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.72
LogP ≤ 5-9.92
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

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Related Compounds

CID 173054452
CID 173054452
lithium;potassium;2,3-dihydroxybutanedioic acid;hydride
CID 173108062
dipotassium;sodium;2,3-dihydroxybutanedioic acid;hydride
CID 173231446
dilithium;2,3-dihydroxybutanedioic acid;hydride;hydrate
CID 173273256
sodium;2,3-dihydroxybutanedioic acid;acetate
CID 89497134
sodium;boranuide;2,3-dihydroxybutanedioic acid
CID 175293038
copper;2,3-dihydroxybutanedioic acid;zirconium
CID 174738764
sodium;2,3-dihydroxybutanedioic acid;fluoride
CID 157387580
barium(2+);2,3-dihydroxybutanedioic acid;hydride;stibane
CID 173390294
azane;(2R,3S)-2,3-dihydroxybutanedioic acid
CID 175972290
alumane;2,3-dihydroxybutanedioic acid
CID 173001814
2,3-dihydroxybutanedioic acid;rhodium
CID 88806318

Frequently Asked Questions

What is the IUPAC name of lithium;sodium;acetic acid;copper;bis(2,3-dihydroxybutanedioic acid);hydride?
The IUPAC name of lithium;sodium;acetic acid;copper;bis(2,3-dihydroxybutanedioic acid);hydride (CID 173404897) is lithium;sodium;acetic acid;copper;bis(2,3-dihydroxybutanedioic acid);hydride.
What is the SMILES notation for lithium;sodium;acetic acid;copper;bis(2,3-dihydroxybutanedioic acid);hydride?
The canonical SMILES for lithium;sodium;acetic acid;copper;bis(2,3-dihydroxybutanedioic acid);hydride is CC(=O)O.O=C(O)C(O)C(O)C(=O)O.O=C(O)C(O)C(O)C(=O)O.[Cu].[H-].[H-].[Li+].[Na+].
What is the InChIKey of lithium;sodium;acetic acid;copper;bis(2,3-dihydroxybutanedioic acid);hydride?
The InChIKey is SNBXWKHHQFESSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H6O6.C2H4O2.Cu.Li.Na.2H/c2*5-1(3(7)8)2(6)4(9)10;1-2(3)4;;;;;/h2*1-2,5-6H,(H,7,8)(H,9,10);1H3,(H,3,4);;;;;/q;;;;2*+1;2*-1.
What are the key properties of lithium;sodium;acetic acid;copper;bis(2,3-dihydroxybutanedioic acid);hydride?
lithium;sodium;acetic acid;copper;bis(2,3-dihydroxybutanedioic acid);hydride has a molecular weight of 455.72 g/mol, XLogP of -9.92, 6 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;sodium;acetic acid;copper;bis(2,3-dihydroxybutanedioic acid);hydride is sourced from PubChem (CID 173404897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).