ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol

C11H22O11 — CID 159368405

IUPACethanol;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol
SMILESCCO.O=C(O)CC(O)(CC(=O)O)C(=O)O.OCC(O)CO
InChIInChI=1S/C6H8O7.C3H8O3.C2H6O/c7-3(8)1-6(13,5(11)12)2-4(9)10;4-1-3(6)2-5;1-2-3/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3-6H,1-2H2;3H,2H2,1H3
InChIKeyLJKPEZANNRUDRD-UHFFFAOYSA-N
MW330.29 g/mol
LogP-2.92
Rot. Bonds7

About ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol

ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol (PubChem CID 159368405) has the molecular formula C11H22O11 and a molecular weight of 330.29 g/mol. Its IUPAC name is ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol.

Molecular Properties

Compound Nameethanol;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol
PubChem CID159368405
Molecular FormulaC11H22O11
Molecular Weight330.29 g/mol
Exact Mass330.12
IUPAC Nameethanol;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol
SMILESCCO.O=C(O)CC(O)(CC(=O)O)C(=O)O.OCC(O)CO
InChIInChI=1S/C6H8O7.C3H8O3.C2H6O/c7-3(8)1-6(13,5(11)12)2-4(9)10;4-1-3(6)2-5;1-2-3/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3-6H,1-2H2;3H,2H2,1H3
InChIKeyLJKPEZANNRUDRD-UHFFFAOYSA-N
XLogP-2.92
TPSA213.05 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.29
LogP ≤ 5-2.92
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 158369615
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Frequently Asked Questions

What is the IUPAC name of ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol?
The IUPAC name of ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol (CID 159368405) is ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol.
What is the SMILES notation for ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol?
The canonical SMILES for ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol is CCO.O=C(O)CC(O)(CC(=O)O)C(=O)O.OCC(O)CO.
What is the InChIKey of ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol?
The InChIKey is LJKPEZANNRUDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.C3H8O3.C2H6O/c7-3(8)1-6(13,5(11)12)2-4(9)10;4-1-3(6)2-5;1-2-3/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3-6H,1-2H2;3H,2H2,1H3.
What are the key properties of ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol?
ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol has a molecular weight of 330.29 g/mol, XLogP of -2.92, 7 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol is sourced from PubChem (CID 159368405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).