2-hydroxypropane-1,2,3-tricarboxylic acid

C6H8O7 — CID 311

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IUPAC2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O
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-1.25
Rot. Bonds5

About 2-hydroxypropane-1,2,3-tricarboxylic acid

2-hydroxypropane-1,2,3-tricarboxylic acid (PubChem CID 311) has the molecular formula C6H8O7 and a molecular weight of 192.12 g/mol. Its IUPAC name is 2-hydroxypropane-1,2,3-tricarboxylic acid.

Molecular Properties

Compound Name2-hydroxypropane-1,2,3-tricarboxylic acid
PubChem CID311
Molecular FormulaC6H8O7
Molecular Weight192.12 g/mol
Exact Mass192.03
IUPAC Name2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O
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-1.25
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.12
LogP ≤ 5-1.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

Trisodium citrate
CID 6224
Ferric citrate
CID 61300
Lithium Citrate
CID 13520
Tripotassium citrate
CID 13344
Potassium Citrate
CID 2735208
Citrate
CID 31348
Ferric Ammonium Citrate
CID 118984355
Trimagnesium dicitrate
CID 6099959
Isocitric Acid
CID 1198
Manganese Citrate
CID 9937209
Tricalcium Citrate
CID 13136
Sodium Citrate Dihydrate
CID 71474

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropane-1,2,3-tricarboxylic acid?
The IUPAC name of 2-hydroxypropane-1,2,3-tricarboxylic acid (CID 311) is 2-hydroxypropane-1,2,3-tricarboxylic acid.
What is the SMILES notation for 2-hydroxypropane-1,2,3-tricarboxylic acid?
The canonical SMILES for 2-hydroxypropane-1,2,3-tricarboxylic acid is O=C(O)CC(O)(CC(=O)O)C(=O)O.
What is the InChIKey of 2-hydroxypropane-1,2,3-tricarboxylic acid?
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 2-hydroxypropane-1,2,3-tricarboxylic acid?
2-hydroxypropane-1,2,3-tricarboxylic acid has a molecular weight of 192.12 g/mol, XLogP of -1.25, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropane-1,2,3-tricarboxylic acid is sourced from PubChem (CID 311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).