sodium;butanedioic acid;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid

C10H15NaO11 — CID 173061207

IUPACsodium;butanedioic acid;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CCC(=O)O.[H-].[Na+]
InChIInChI=1S/C6H8O7.C4H6O4.Na.H/c7-3(8)1-6(13,5(11)12)2-4(9)10;5-3(6)1-2-4(7)8;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1-2H2,(H,5,6)(H,7,8);;/q;;+1;-1
InChIKeyWCXBTPZISMXKMD-UHFFFAOYSA-N
MW334.21 g/mol
LogP-4.20
Rot. Bonds8

About sodium;butanedioic acid;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid

sodium;butanedioic acid;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid (PubChem CID 173061207) has the molecular formula C10H15NaO11 and a molecular weight of 334.21 g/mol. Its IUPAC name is sodium;butanedioic acid;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid.

Molecular Properties

Compound Namesodium;butanedioic acid;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid
PubChem CID173061207
Molecular FormulaC10H15NaO11
Molecular Weight334.21 g/mol
Exact Mass334.05
IUPAC Namesodium;butanedioic acid;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CCC(=O)O.[H-].[Na+]
InChIInChI=1S/C6H8O7.C4H6O4.Na.H/c7-3(8)1-6(13,5(11)12)2-4(9)10;5-3(6)1-2-4(7)8;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1-2H2,(H,5,6)(H,7,8);;/q;;+1;-1
InChIKeyWCXBTPZISMXKMD-UHFFFAOYSA-N
XLogP-4.20
TPSA206.73 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.21
LogP ≤ 5-4.20
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

pentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 175539982
sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;heptahydrate
CID 173006501
trisodium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);dihydrate
CID 173025138
CID 173238603
CID 173238603
sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;iron
CID 173003621
sodium;azane;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid)
CID 173264516
sodium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);iron
CID 174482956
sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;iron;hydrate
CID 174869049
pentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrobromide;hydrochloride;hydroiodide
CID 173339742
trimagnesium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);hydrate
CID 173246705
barium(2+);hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;heptahydrate
CID 173410096
sodium;2-hydroxypropane-1,2,3-tricarboxylic acid;hydroxide;hydrochloride
CID 86661525

Frequently Asked Questions

What is the IUPAC name of sodium;butanedioic acid;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid?
The IUPAC name of sodium;butanedioic acid;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid (CID 173061207) is sodium;butanedioic acid;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid.
What is the SMILES notation for sodium;butanedioic acid;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid?
The canonical SMILES for sodium;butanedioic acid;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid is O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CCC(=O)O.[H-].[Na+].
What is the InChIKey of sodium;butanedioic acid;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid?
The InChIKey is WCXBTPZISMXKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.C4H6O4.Na.H/c7-3(8)1-6(13,5(11)12)2-4(9)10;5-3(6)1-2-4(7)8;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1-2H2,(H,5,6)(H,7,8);;/q;;+1;-1.
What are the key properties of sodium;butanedioic acid;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid?
sodium;butanedioic acid;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid has a molecular weight of 334.21 g/mol, XLogP of -4.20, 8 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;butanedioic acid;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid is sourced from PubChem (CID 173061207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).