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

C10H15ClO12 — CID 88754608

IUPAC2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrochloride
SMILESCl.O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CC(O)C(=O)O
InChIInChI=1S/C6H8O7.C4H6O5.ClH/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);1H
InChIKeyXCNUZBUMJGAWAJ-UHFFFAOYSA-N
MW362.67 g/mol
LogP-1.92
Rot. Bonds8

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

2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrochloride (PubChem CID 88754608) has the molecular formula C10H15ClO12 and a molecular weight of 362.67 g/mol. Its IUPAC name is 2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrochloride
PubChem CID88754608
Molecular FormulaC10H15ClO12
Molecular Weight362.67 g/mol
Exact Mass362.03
IUPAC Name2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrochloride
SMILESCl.O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CC(O)C(=O)O
InChIInChI=1S/C6H8O7.C4H6O5.ClH/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);1H
InChIKeyXCNUZBUMJGAWAJ-UHFFFAOYSA-N
XLogP-1.92
TPSA226.96 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.67
LogP ≤ 5-1.92
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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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;zinc
CID 173117475
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
2-hydroxybutanedioic acid;hydrate;hydrochloride
CID 172717640
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;hydrochloride?
The IUPAC name of 2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrochloride (CID 88754608) is 2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrochloride.
What is the SMILES notation for 2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrochloride?
The canonical SMILES for 2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrochloride is Cl.O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CC(O)C(=O)O.
What is the InChIKey of 2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrochloride?
The InChIKey is XCNUZBUMJGAWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.C4H6O5.ClH/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);1H.
What are the key properties of 2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrochloride?
2-hydroxybutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrochloride has a molecular weight of 362.67 g/mol, XLogP of -1.92, 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;hydrochloride is sourced from PubChem (CID 88754608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).