pentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid

C6H13Na5O7 — CID 175539982

IUPACpentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.[H-].[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C6H8O7.5Na.5H/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;;;;;;;/q;5*+1;5*-1
InChIKeyAKPQMUOADLYSHB-UHFFFAOYSA-N
MW312.11 g/mol
LogP-15.67
Rot. Bonds5

About pentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid

pentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid (PubChem CID 175539982) has the molecular formula C6H13Na5O7 and a molecular weight of 312.11 g/mol. Its IUPAC name is pentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid.

Molecular Properties

Compound Namepentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid
PubChem CID175539982
Molecular FormulaC6H13Na5O7
Molecular Weight312.11 g/mol
Exact Mass312.01
IUPAC Namepentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.[H-].[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C6H8O7.5Na.5H/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;;;;;;;/q;5*+1;5*-1
InChIKeyAKPQMUOADLYSHB-UHFFFAOYSA-N
XLogP-15.67
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.11
LogP ≤ 5-15.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

CID 173238603
CID 173238603
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
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
sodium;butanedioic acid;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 173061207
pentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrobromide;hydrochloride;hydroiodide
CID 173339742
barium(2+);hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;heptahydrate
CID 173410096
trimagnesium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);hydrate
CID 173246705
trimagnesium;carbonic acid;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 173041286

Frequently Asked Questions

What is the IUPAC name of pentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid?
The IUPAC name of pentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid (CID 175539982) is pentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid.
What is the SMILES notation for pentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid?
The canonical SMILES for pentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid is O=C(O)CC(O)(CC(=O)O)C(=O)O.[H-].[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of pentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid?
The InChIKey is AKPQMUOADLYSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.5Na.5H/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;;;;;;;/q;5*+1;5*-1.
What are the key properties of pentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid?
pentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid has a molecular weight of 312.11 g/mol, XLogP of -15.67, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid is sourced from PubChem (CID 175539982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).