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

C6H8O7 — CID 19782904

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IUPAChydron;2-hydroxypropane-1,2,3-tricarboxylate
SMILESO=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[H+].[H+].[H+]
InChIInChI=1S/C6H8O7/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)
InChIKeyKRKNYBCHXYNGOX-UHFFFAOYSA-N
MW192.12 g/mol
LogP-4.92
Rot. Bonds5

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

hydron;2-hydroxypropane-1,2,3-tricarboxylate (PubChem CID 19782904) has the molecular formula C6H8O7 and a molecular weight of 192.12 g/mol. Its IUPAC name is hydron;2-hydroxypropane-1,2,3-tricarboxylate.

Molecular Properties

Compound Namehydron;2-hydroxypropane-1,2,3-tricarboxylate
PubChem CID19782904
Molecular FormulaC6H8O7
Molecular Weight192.12 g/mol
Exact Mass192.03
IUPAC Namehydron;2-hydroxypropane-1,2,3-tricarboxylate
SMILESO=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[H+].[H+].[H+]
InChIInChI=1S/C6H8O7/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)
InChIKeyKRKNYBCHXYNGOX-UHFFFAOYSA-N
XLogP-4.92
TPSA140.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.12
LogP ≤ 5-4.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of hydron;2-hydroxypropane-1,2,3-tricarboxylate?
The IUPAC name of hydron;2-hydroxypropane-1,2,3-tricarboxylate (CID 19782904) is hydron;2-hydroxypropane-1,2,3-tricarboxylate.
What is the SMILES notation for hydron;2-hydroxypropane-1,2,3-tricarboxylate?
The canonical SMILES for hydron;2-hydroxypropane-1,2,3-tricarboxylate is O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[H+].[H+].[H+].
What is the InChIKey of hydron;2-hydroxypropane-1,2,3-tricarboxylate?
The InChIKey is KRKNYBCHXYNGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7/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).
What are the key properties of hydron;2-hydroxypropane-1,2,3-tricarboxylate?
hydron;2-hydroxypropane-1,2,3-tricarboxylate has a molecular weight of 192.12 g/mol, XLogP of -4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;2-hydroxypropane-1,2,3-tricarboxylate is sourced from PubChem (CID 19782904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).