trisodium;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphate

C6H8Na3O11P — CID 22561562

IUPACtrisodium;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphate
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.O=P([O-])([O-])[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/C6H8O7.3Na.H3O4P/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;1-5(2,3)4/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;(H3,1,2,3,4)/q;3*+1;/p-3
InChIKeyAURFVNDXGLQSNN-UHFFFAOYSA-K
MW356.06 g/mol
LogP-13.06
Rot. Bonds5

About trisodium;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphate

trisodium;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphate (PubChem CID 22561562) has the molecular formula C6H8Na3O11P and a molecular weight of 356.06 g/mol. Its IUPAC name is trisodium;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphate.

Molecular Properties

Compound Nametrisodium;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphate
PubChem CID22561562
Molecular FormulaC6H8Na3O11P
Molecular Weight356.06 g/mol
Exact Mass355.95
IUPAC Nametrisodium;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphate
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.O=P([O-])([O-])[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/C6H8O7.3Na.H3O4P/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;1-5(2,3)4/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;(H3,1,2,3,4)/q;3*+1;/p-3
InChIKeyAURFVNDXGLQSNN-UHFFFAOYSA-K
XLogP-13.06
TPSA218.38 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.06
LogP ≤ 5-13.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze trisodium;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

disodium;dihydrogen phosphate;2-hydroxypropane-1,2,3-tricarboxylic acid;chloride;hydrate
CID 173345229
dicalcium;3-carboxy-3,5-dihydroxy-5-oxopentanoate;phosphate
CID 174594443
disodium;2-aminoacetic acid;hydrogen phosphate;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 175196892
pentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 175539982
trisodium;3-carboxy-3,5-dihydroxy-5-oxopentanoate;hydrogen phosphate;dihydrate
CID 140592938
disodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid;heptahydrate
CID 173298458
azane;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid
CID 173367130
azane;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphoric acid
CID 173242667
sodium;azane;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid)
CID 173264516
sodium;2-hydroxypropane-1,2,3-tricarboxylic acid;hydroxide;hydrochloride
CID 86661525
sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;iron
CID 173003621
CID 173238603
CID 173238603

Frequently Asked Questions

What is the IUPAC name of trisodium;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphate?
The IUPAC name of trisodium;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphate (CID 22561562) is trisodium;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphate.
What is the SMILES notation for trisodium;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphate?
The canonical SMILES for trisodium;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphate is O=C(O)CC(O)(CC(=O)O)C(=O)O.O=P([O-])([O-])[O-].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphate?
The InChIKey is AURFVNDXGLQSNN-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H8O7.3Na.H3O4P/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;1-5(2,3)4/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;(H3,1,2,3,4)/q;3*+1;/p-3.
What are the key properties of trisodium;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphate?
trisodium;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphate has a molecular weight of 356.06 g/mol, XLogP of -13.06, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;2-hydroxypropane-1,2,3-tricarboxylic acid;phosphate is sourced from PubChem (CID 22561562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).