trisodium;2-(hydroxymethyl)propane-1,2,3-tricarboxylate

C7H7Na3O7 — CID 59574950

IUPACtrisodium;2-(hydroxymethyl)propane-1,2,3-tricarboxylate
SMILESO=C([O-])CC(CO)(CC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/C7H10O7.3Na/c8-3-7(6(13)14,1-4(9)10)2-5(11)12;;;/h8H,1-3H2,(H,9,10)(H,11,12)(H,13,14);;;/q;3*+1/p-3
InChIKeySIULNJYWQYERMQ-UHFFFAOYSA-K
MW272.10 g/mol
LogP-13.99
Rot. Bonds6

About trisodium;2-(hydroxymethyl)propane-1,2,3-tricarboxylate

trisodium;2-(hydroxymethyl)propane-1,2,3-tricarboxylate (PubChem CID 59574950) has the molecular formula C7H7Na3O7 and a molecular weight of 272.10 g/mol. Its IUPAC name is trisodium;2-(hydroxymethyl)propane-1,2,3-tricarboxylate.

Molecular Properties

Compound Nametrisodium;2-(hydroxymethyl)propane-1,2,3-tricarboxylate
PubChem CID59574950
Molecular FormulaC7H7Na3O7
Molecular Weight272.10 g/mol
Exact Mass271.99
IUPAC Nametrisodium;2-(hydroxymethyl)propane-1,2,3-tricarboxylate
SMILESO=C([O-])CC(CO)(CC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/C7H10O7.3Na/c8-3-7(6(13)14,1-4(9)10)2-5(11)12;;;/h8H,1-3H2,(H,9,10)(H,11,12)(H,13,14);;;/q;3*+1/p-3
InChIKeySIULNJYWQYERMQ-UHFFFAOYSA-K
XLogP-13.99
TPSA140.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 5-13.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 15251596
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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
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Frequently Asked Questions

What is the IUPAC name of trisodium;2-(hydroxymethyl)propane-1,2,3-tricarboxylate?
The IUPAC name of trisodium;2-(hydroxymethyl)propane-1,2,3-tricarboxylate (CID 59574950) is trisodium;2-(hydroxymethyl)propane-1,2,3-tricarboxylate.
What is the SMILES notation for trisodium;2-(hydroxymethyl)propane-1,2,3-tricarboxylate?
The canonical SMILES for trisodium;2-(hydroxymethyl)propane-1,2,3-tricarboxylate is O=C([O-])CC(CO)(CC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;2-(hydroxymethyl)propane-1,2,3-tricarboxylate?
The InChIKey is SIULNJYWQYERMQ-UHFFFAOYSA-K. The full InChI is InChI=1S/C7H10O7.3Na/c8-3-7(6(13)14,1-4(9)10)2-5(11)12;;;/h8H,1-3H2,(H,9,10)(H,11,12)(H,13,14);;;/q;3*+1/p-3.
What are the key properties of trisodium;2-(hydroxymethyl)propane-1,2,3-tricarboxylate?
trisodium;2-(hydroxymethyl)propane-1,2,3-tricarboxylate has a molecular weight of 272.10 g/mol, XLogP of -13.99, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;2-(hydroxymethyl)propane-1,2,3-tricarboxylate is sourced from PubChem (CID 59574950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).