trisodium;2-hydroxypropane-1,2,3-tricarboxylate

C6H5Na3O7 — CID 6224

IUPACtrisodium;2-hydroxypropane-1,2,3-tricarboxylate
SMILESO=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/C6H8O7.3Na/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;3*+1/p-3
InChIKeyHRXKRNGNAMMEHJ-UHFFFAOYSA-K
MW258.07 g/mol
LogP-14.24
Rot. Bonds5

About trisodium;2-hydroxypropane-1,2,3-tricarboxylate

trisodium;2-hydroxypropane-1,2,3-tricarboxylate (PubChem CID 6224) has the molecular formula C6H5Na3O7 and a molecular weight of 258.07 g/mol. Its IUPAC name is trisodium;2-hydroxypropane-1,2,3-tricarboxylate.

Molecular Properties

Compound Nametrisodium;2-hydroxypropane-1,2,3-tricarboxylate
PubChem CID6224
Molecular FormulaC6H5Na3O7
Molecular Weight258.07 g/mol
Exact Mass257.97
IUPAC Nametrisodium;2-hydroxypropane-1,2,3-tricarboxylate
SMILESO=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/C6H8O7.3Na/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;3*+1/p-3
InChIKeyHRXKRNGNAMMEHJ-UHFFFAOYSA-K
XLogP-14.24
TPSA140.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.07
LogP ≤ 5-14.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of trisodium;2-hydroxypropane-1,2,3-tricarboxylate?
The IUPAC name of trisodium;2-hydroxypropane-1,2,3-tricarboxylate (CID 6224) is trisodium;2-hydroxypropane-1,2,3-tricarboxylate.
What is the SMILES notation for trisodium;2-hydroxypropane-1,2,3-tricarboxylate?
The canonical SMILES for trisodium;2-hydroxypropane-1,2,3-tricarboxylate is 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?
The InChIKey is HRXKRNGNAMMEHJ-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H8O7.3Na/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;3*+1/p-3.
What are the key properties of trisodium;2-hydroxypropane-1,2,3-tricarboxylate?
trisodium;2-hydroxypropane-1,2,3-tricarboxylate has a molecular weight of 258.07 g/mol, XLogP of -14.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;2-hydroxypropane-1,2,3-tricarboxylate is sourced from PubChem (CID 6224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).