2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;zinc

C10H14O12Zn2 — CID 173117475

IUPAC2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;zinc
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CC(O)C(=O)O.[Zn].[Zn]
InChIInChI=1S/C6H8O7.C4H6O5.2Zn/c7-3(8)1-6(13,5(11)12)2-4(9)10;5-2(4(8)9)1-3(6)7;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2,5H,1H2,(H,6,7)(H,8,9);;
InChIKeyJLEINVCTLUTCFM-UHFFFAOYSA-N
MW456.99 g/mol
LogP-2.35
Rot. Bonds8

About 2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;zinc

2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;zinc (PubChem CID 173117475) has the molecular formula C10H14O12Zn2 and a molecular weight of 456.99 g/mol. Its IUPAC name is 2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;zinc.

Molecular Properties

Compound Name2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;zinc
PubChem CID173117475
Molecular FormulaC10H14O12Zn2
Molecular Weight456.99 g/mol
Exact Mass453.91
IUPAC Name2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;zinc
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CC(O)C(=O)O.[Zn].[Zn]
InChIInChI=1S/C6H8O7.C4H6O5.2Zn/c7-3(8)1-6(13,5(11)12)2-4(9)10;5-2(4(8)9)1-3(6)7;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2,5H,1H2,(H,6,7)(H,8,9);;
InChIKeyJLEINVCTLUTCFM-UHFFFAOYSA-N
XLogP-2.35
TPSA226.96 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.99
LogP ≤ 5-2.35
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-1,2,3-Propanetricarboxylic acid calcium salt hydroxybutanedioic acid calcium salt
CID 156595519
2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrochloride
CID 88754608
sodium;hydride;2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 173220452
potassium;hydride;2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 174781455
calcium;hydride;2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;pentahydrate
CID 175189252
butane-1,4-diol;2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 159081323
calcium;hydride;2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid
CID 174903110
carbonic acid;2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;pentane-1,2,3,4,5-pentol
CID 174644385
bis(2-hydroxypropane-1,2,3-tricarboxylic acid);zinc;trihydrate
CID 174885408
azane;2,3-dihydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 173214936
(2S)-2-aminobutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 86749178
boric acid;bis(2-hydroxybutanedioic acid)
CID 175869930

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;zinc?
The IUPAC name of 2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;zinc (CID 173117475) is 2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;zinc.
What is the SMILES notation for 2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;zinc?
The canonical SMILES for 2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;zinc is O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CC(O)C(=O)O.[Zn].[Zn].
What is the InChIKey of 2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;zinc?
The InChIKey is JLEINVCTLUTCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.C4H6O5.2Zn/c7-3(8)1-6(13,5(11)12)2-4(9)10;5-2(4(8)9)1-3(6)7;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2,5H,1H2,(H,6,7)(H,8,9);;.
What are the key properties of 2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;zinc?
2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;zinc has a molecular weight of 456.99 g/mol, XLogP of -2.35, 8 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;zinc is sourced from PubChem (CID 173117475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).