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

C9H18O9 — CID 161021171

IUPACethanol;2-hydroxypropane-1,2,3-tricarboxylic acid;methanol
SMILESCCO.CO.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C6H8O7.C2H6O.CH4O/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2-3;1-2/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3H,2H2,1H3;2H,1H3
InChIKeyTYJSWNXARAPXLW-UHFFFAOYSA-N
MW270.23 g/mol
LogP-1.64
Rot. Bonds5

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

ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid;methanol (PubChem CID 161021171) has the molecular formula C9H18O9 and a molecular weight of 270.23 g/mol. Its IUPAC name is ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid;methanol.

Molecular Properties

Compound Nameethanol;2-hydroxypropane-1,2,3-tricarboxylic acid;methanol
PubChem CID161021171
Molecular FormulaC9H18O9
Molecular Weight270.23 g/mol
Exact Mass270.10
IUPAC Nameethanol;2-hydroxypropane-1,2,3-tricarboxylic acid;methanol
SMILESCCO.CO.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C6H8O7.C2H6O.CH4O/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2-3;1-2/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3H,2H2,1H3;2H,1H3
InChIKeyTYJSWNXARAPXLW-UHFFFAOYSA-N
XLogP-1.64
TPSA172.59 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.23
LogP ≤ 5-1.64
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

azane;ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 173341886
2-hydroxypropane-1,2,3-tricarboxylic acid;methanol
CID 87382706
ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol
CID 159368405
ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2-diol
CID 158644905
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
hydrogen peroxide;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 158473512
silver 2-hydroxypropane-1,2,3-tricarboxylic acid
CID 11587493
tris(2-hydroxypropane-1,2,3-tricarboxylic acid);iron
CID 163216326
CID 173004565
CID 173004565

Frequently Asked Questions

What is the IUPAC name of ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid;methanol?
The IUPAC name of ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid;methanol (CID 161021171) is ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid;methanol.
What is the SMILES notation for ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid;methanol?
The canonical SMILES for ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid;methanol is CCO.CO.O=C(O)CC(O)(CC(=O)O)C(=O)O.
What is the InChIKey of ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid;methanol?
The InChIKey is TYJSWNXARAPXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.C2H6O.CH4O/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2-3;1-2/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3H,2H2,1H3;2H,1H3.
What are the key properties of ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid;methanol?
ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid;methanol has a molecular weight of 270.23 g/mol, XLogP of -1.64, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid;methanol is sourced from PubChem (CID 161021171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).