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

C6H10O8 — CID 22230

IUPAC2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
SMILESO.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C6H8O7.H2O/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);1H2
InChIKeyYASYEJJMZJALEJ-UHFFFAOYSA-N
MW210.14 g/mol
LogP-2.07
Rot. Bonds5

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

2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate (PubChem CID 22230) has the molecular formula C6H10O8 and a molecular weight of 210.14 g/mol. Its IUPAC name is 2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate.

Molecular Properties

Compound Name2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
PubChem CID22230
Molecular FormulaC6H10O8
Molecular Weight210.14 g/mol
Exact Mass210.04
IUPAC Name2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
SMILESO.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C6H8O7.H2O/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);1H2
InChIKeyYASYEJJMZJALEJ-UHFFFAOYSA-N
XLogP-2.07
TPSA163.63 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.14
LogP ≤ 5-2.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate?
The IUPAC name of 2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate (CID 22230) is 2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate.
What is the SMILES notation for 2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate?
The canonical SMILES for 2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate is O.O=C(O)CC(O)(CC(=O)O)C(=O)O.
What is the InChIKey of 2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate?
The InChIKey is YASYEJJMZJALEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.H2O/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);1H2.
What are the key properties of 2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate?
2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate has a molecular weight of 210.14 g/mol, XLogP of -2.07, 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;hydrate is sourced from PubChem (CID 22230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).