trisodium;2-hydroxypropane-1,2,3-tricarboxylate;propan-2-ol;hydrate

C9H15Na3O9 — CID 174833879

IUPACtrisodium;2-hydroxypropane-1,2,3-tricarboxylate;propan-2-ol;hydrate
SMILESCC(C)O.O.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/C6H8O7.C3H8O.3Na.H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-3(2)4;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3-4H,1-2H3;;;;1H2/q;;3*+1;/p-3
InChIKeyJUWUZUVUJBEYGC-UHFFFAOYSA-K
MW336.18 g/mol
LogP-14.68
Rot. Bonds5

About trisodium;2-hydroxypropane-1,2,3-tricarboxylate;propan-2-ol;hydrate

trisodium;2-hydroxypropane-1,2,3-tricarboxylate;propan-2-ol;hydrate (PubChem CID 174833879) has the molecular formula C9H15Na3O9 and a molecular weight of 336.18 g/mol. Its IUPAC name is trisodium;2-hydroxypropane-1,2,3-tricarboxylate;propan-2-ol;hydrate.

Molecular Properties

Compound Nametrisodium;2-hydroxypropane-1,2,3-tricarboxylate;propan-2-ol;hydrate
PubChem CID174833879
Molecular FormulaC9H15Na3O9
Molecular Weight336.18 g/mol
Exact Mass336.04
IUPAC Nametrisodium;2-hydroxypropane-1,2,3-tricarboxylate;propan-2-ol;hydrate
SMILESCC(C)O.O.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/C6H8O7.C3H8O.3Na.H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-3(2)4;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3-4H,1-2H3;;;;1H2/q;;3*+1;/p-3
InChIKeyJUWUZUVUJBEYGC-UHFFFAOYSA-K
XLogP-14.68
TPSA192.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 5-14.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze trisodium;2-hydroxypropane-1,2,3-tricarboxylate;propan-2-ol;hydrate 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

nonasodium;tris(2-hydroxypropane-1,2,3-tricarboxylate);hydrate
CID 172827703
trisodium;2-hydroxypropane-1,2,3-tricarboxylate;tris(2-hydroxypropanoic acid)
CID 173392935
potassium;trisodium;2-hydroxypropane-1,2,3-tricarboxylate;acetate;dihydrate
CID 173181052
2-hydroxypropane-1,2,3-tricarboxylate;pentahydrate
CID 22361291
bismuth;2-hydroxypropane-1,2,3-tricarboxylate;pentahydrate
CID 175376328
dipotassium;sodium;2-hydroxypropane-1,2,3-tricarboxylate
CID 15251596
sodium;carbanide;2-hydroxypropane-1,2,3-tricarboxylate
CID 23509131
sodium;2-hydroxypropane-1,2,3-tricarboxylate;nickel(2+)
CID 172852177
bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(lead(2+));trihydrate
CID 2735068
tricalcium;bis(2-hydroxypropane-1,2,3-tricarboxylate);octahydrate
CID 86269183
2-hydroxypropane-1,2,3-tricarboxylate;nickel(3+);dihydrate
CID 160518842
trimagnesium;bis(2-hydroxypropane-1,2,3-tricarboxylate);heptahydrate
CID 172770656

Frequently Asked Questions

What is the IUPAC name of trisodium;2-hydroxypropane-1,2,3-tricarboxylate;propan-2-ol;hydrate?
The IUPAC name of trisodium;2-hydroxypropane-1,2,3-tricarboxylate;propan-2-ol;hydrate (CID 174833879) is trisodium;2-hydroxypropane-1,2,3-tricarboxylate;propan-2-ol;hydrate.
What is the SMILES notation for trisodium;2-hydroxypropane-1,2,3-tricarboxylate;propan-2-ol;hydrate?
The canonical SMILES for trisodium;2-hydroxypropane-1,2,3-tricarboxylate;propan-2-ol;hydrate is CC(C)O.O.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;2-hydroxypropane-1,2,3-tricarboxylate;propan-2-ol;hydrate?
The InChIKey is JUWUZUVUJBEYGC-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H8O7.C3H8O.3Na.H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-3(2)4;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3-4H,1-2H3;;;;1H2/q;;3*+1;/p-3.
What are the key properties of trisodium;2-hydroxypropane-1,2,3-tricarboxylate;propan-2-ol;hydrate?
trisodium;2-hydroxypropane-1,2,3-tricarboxylate;propan-2-ol;hydrate has a molecular weight of 336.18 g/mol, XLogP of -14.68, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;2-hydroxypropane-1,2,3-tricarboxylate;propan-2-ol;hydrate is sourced from PubChem (CID 174833879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).