pentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrobromide;hydrochloride;hydroiodide

C6H16BrClINa5O7 — CID 173339742

IUPACpentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrobromide;hydrochloride;hydroiodide
SMILESBr.Cl.I.O=C(O)CC(O)(CC(=O)O)C(=O)O.[H-].[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C6H8O7.BrH.ClH.HI.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);3*1H;;;;;;;;;;/q;;;;5*+1;5*-1
InChIKeyWFCACVKFLNUXID-UHFFFAOYSA-N
MW557.40 g/mol
LogP-14.05
Rot. Bonds5

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

pentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrobromide;hydrochloride;hydroiodide (PubChem CID 173339742) has the molecular formula C6H16BrClINa5O7 and a molecular weight of 557.40 g/mol. Its IUPAC name is pentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrobromide;hydrochloride;hydroiodide.

Molecular Properties

Compound Namepentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrobromide;hydrochloride;hydroiodide
PubChem CID173339742
Molecular FormulaC6H16BrClINa5O7
Molecular Weight557.40 g/mol
Exact Mass555.83
IUPAC Namepentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrobromide;hydrochloride;hydroiodide
SMILESBr.Cl.I.O=C(O)CC(O)(CC(=O)O)C(=O)O.[H-].[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C6H8O7.BrH.ClH.HI.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);3*1H;;;;;;;;;;/q;;;;5*+1;5*-1
InChIKeyWFCACVKFLNUXID-UHFFFAOYSA-N
XLogP-14.05
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.40
LogP ≤ 5-14.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

pentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 175539982
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;2-hydroxypropane-1,2,3-tricarboxylic acid;hydroxide;hydrochloride
CID 86661525
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;butanedioic acid;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 173061207
sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;iron;hydrate
CID 174869049
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

Frequently Asked Questions

What is the IUPAC name of pentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrobromide;hydrochloride;hydroiodide?
The IUPAC name of pentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrobromide;hydrochloride;hydroiodide (CID 173339742) is pentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrobromide;hydrochloride;hydroiodide.
What is the SMILES notation for pentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrobromide;hydrochloride;hydroiodide?
The canonical SMILES for pentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrobromide;hydrochloride;hydroiodide is Br.Cl.I.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;hydrobromide;hydrochloride;hydroiodide?
The InChIKey is WFCACVKFLNUXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.BrH.ClH.HI.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);3*1H;;;;;;;;;;/q;;;;5*+1;5*-1.
What are the key properties of pentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrobromide;hydrochloride;hydroiodide?
pentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrobromide;hydrochloride;hydroiodide has a molecular weight of 557.40 g/mol, XLogP of -14.05, 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;hydrobromide;hydrochloride;hydroiodide is sourced from PubChem (CID 173339742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).