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

C6H14Na3O16P3 — CID 173423039

IUPACtrisodium;2-hydroxypropane-1,2,3-tricarboxylate;phosphorous acid
SMILESO=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].OP(O)O.OP(O)O.OP(O)O.[Na+].[Na+].[Na+]
InChIInChI=1S/C6H8O7.3Na.3H3O3P/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;3*1-4(2)3/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;3*1-3H/q;3*+1;;;/p-3
InChIKeyPUUFSADILUQQNN-UHFFFAOYSA-K
MW504.05 g/mol
LogP-16.67
Rot. Bonds5

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

trisodium;2-hydroxypropane-1,2,3-tricarboxylate;phosphorous acid (PubChem CID 173423039) has the molecular formula C6H14Na3O16P3 and a molecular weight of 504.05 g/mol. Its IUPAC name is trisodium;2-hydroxypropane-1,2,3-tricarboxylate;phosphorous acid.

Molecular Properties

Compound Nametrisodium;2-hydroxypropane-1,2,3-tricarboxylate;phosphorous acid
PubChem CID173423039
Molecular FormulaC6H14Na3O16P3
Molecular Weight504.05 g/mol
Exact Mass503.92
IUPAC Nametrisodium;2-hydroxypropane-1,2,3-tricarboxylate;phosphorous acid
SMILESO=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].OP(O)O.OP(O)O.OP(O)O.[Na+].[Na+].[Na+]
InChIInChI=1S/C6H8O7.3Na.3H3O3P/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;3*1-4(2)3/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;3*1-3H/q;3*+1;;;/p-3
InChIKeyPUUFSADILUQQNN-UHFFFAOYSA-K
XLogP-16.67
TPSA322.69 Ų
H-Bond Donors10
H-Bond Acceptors16
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500504.05
LogP ≤ 5-16.67
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Related Compounds

nonasodium;tris(2-hydroxypropane-1,2,3-tricarboxylate);hydrate
CID 172827703
sodium;2-hydroxypropane-1,2,3-tricarboxylate;nickel(2+)
CID 172852177
aluminum;sodium;2-hydroxypropane-1,2,3-tricarboxylate
CID 23327033
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;thorium(4+)
CID 3056942
trisodium;hydroxylamine;2-hydroxypropane-1,2,3-tricarboxylate
CID 159887445
hexapotassium;sodium;bis(2-hydroxypropane-1,2,3-tricarboxylate);hydroxide
CID 19774871
tris(barium(2+));bis(2-hydroxypropane-1,2,3-tricarboxylate)
CID 90472924
2-hydroxypropane-1,2,3-tricarboxylate;pentahydrate
CID 22361291
bis(copper(1+));2-hydroxypropane-1,2,3-tricarboxylate
CID 21120021
dysprosium(3+);2-hydroxypropane-1,2,3-tricarboxylate
CID 25679

Frequently Asked Questions

What is the IUPAC name of trisodium;2-hydroxypropane-1,2,3-tricarboxylate;phosphorous acid?
The IUPAC name of trisodium;2-hydroxypropane-1,2,3-tricarboxylate;phosphorous acid (CID 173423039) is trisodium;2-hydroxypropane-1,2,3-tricarboxylate;phosphorous acid.
What is the SMILES notation for trisodium;2-hydroxypropane-1,2,3-tricarboxylate;phosphorous acid?
The canonical SMILES for trisodium;2-hydroxypropane-1,2,3-tricarboxylate;phosphorous acid is O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].OP(O)O.OP(O)O.OP(O)O.[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;2-hydroxypropane-1,2,3-tricarboxylate;phosphorous acid?
The InChIKey is PUUFSADILUQQNN-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H8O7.3Na.3H3O3P/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;3*1-4(2)3/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;3*1-3H/q;3*+1;;;/p-3.
What are the key properties of trisodium;2-hydroxypropane-1,2,3-tricarboxylate;phosphorous acid?
trisodium;2-hydroxypropane-1,2,3-tricarboxylate;phosphorous acid has a molecular weight of 504.05 g/mol, XLogP of -16.67, 5 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;2-hydroxypropane-1,2,3-tricarboxylate;phosphorous acid is sourced from PubChem (CID 173423039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).