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

C7H12O8 — CID 87382706

IUPAC2-hydroxypropane-1,2,3-tricarboxylic acid;methanol
SMILESCO.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C6H8O7.CH4O/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2H,1H3
InChIKeyZXWHANCSQZVZCM-UHFFFAOYSA-N
MW224.16 g/mol
LogP-1.64
Rot. Bonds5

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

2-hydroxypropane-1,2,3-tricarboxylic acid;methanol (PubChem CID 87382706) has the molecular formula C7H12O8 and a molecular weight of 224.16 g/mol. Its IUPAC name is 2-hydroxypropane-1,2,3-tricarboxylic acid;methanol.

Molecular Properties

Compound Name2-hydroxypropane-1,2,3-tricarboxylic acid;methanol
PubChem CID87382706
Molecular FormulaC7H12O8
Molecular Weight224.16 g/mol
Exact Mass224.05
IUPAC Name2-hydroxypropane-1,2,3-tricarboxylic acid;methanol
SMILESCO.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C6H8O7.CH4O/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2H,1H3
InChIKeyZXWHANCSQZVZCM-UHFFFAOYSA-N
XLogP-1.64
TPSA152.36 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.16
LogP ≤ 5-1.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid;methanol
CID 161021171
bromomethane;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 158369615
tris(2-hydroxypropane-1,2,3-tricarboxylic acid);dihydrate
CID 172729585
2-hydroxypropane-1,2,3-tricarboxylic acid;manganese
CID 90472972
2-hydroxypropane-1,2,3-tricarboxylic acid;tungsten
CID 89401463
silver 2-hydroxypropane-1,2,3-tricarboxylic acid
CID 11587493
hydrogen peroxide;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 158473512
CID 24997986
CID 24997986
CID 173004565
CID 173004565
tris(2-hydroxypropane-1,2,3-tricarboxylic acid);iron
CID 163216326
carbonic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 87148662
2-hydroxypropane-1,2,3-tricarboxylic acid;molybdenum
CID 56836802

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropane-1,2,3-tricarboxylic acid;methanol?
The IUPAC name of 2-hydroxypropane-1,2,3-tricarboxylic acid;methanol (CID 87382706) is 2-hydroxypropane-1,2,3-tricarboxylic acid;methanol.
What is the SMILES notation for 2-hydroxypropane-1,2,3-tricarboxylic acid;methanol?
The canonical SMILES for 2-hydroxypropane-1,2,3-tricarboxylic acid;methanol is CO.O=C(O)CC(O)(CC(=O)O)C(=O)O.
What is the InChIKey of 2-hydroxypropane-1,2,3-tricarboxylic acid;methanol?
The InChIKey is ZXWHANCSQZVZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.CH4O/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2H,1H3.
What are the key properties of 2-hydroxypropane-1,2,3-tricarboxylic acid;methanol?
2-hydroxypropane-1,2,3-tricarboxylic acid;methanol has a molecular weight of 224.16 g/mol, XLogP of -1.64, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropane-1,2,3-tricarboxylic acid;methanol is sourced from PubChem (CID 87382706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).