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

C15H28O16 — CID 174618954

IUPACacetic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol
SMILESCC(=O)O.CC(=O)O.CC(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O.OCC(O)CO
InChIInChI=1S/C6H8O7.C3H8O3.3C2H4O2/c7-3(8)1-6(13,5(11)12)2-4(9)10;4-1-3(6)2-5;3*1-2(3)4/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3-6H,1-2H2;3*1H3,(H,3,4)
InChIKeyOYZDGIYVKXJRNI-UHFFFAOYSA-N
MW464.37 g/mol
LogP-2.64
Rot. Bonds7

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

acetic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol (PubChem CID 174618954) has the molecular formula C15H28O16 and a molecular weight of 464.37 g/mol. Its IUPAC name is acetic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol.

Molecular Properties

Compound Nameacetic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol
PubChem CID174618954
Molecular FormulaC15H28O16
Molecular Weight464.37 g/mol
Exact Mass464.14
IUPAC Nameacetic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol
SMILESCC(=O)O.CC(=O)O.CC(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O.OCC(O)CO
InChIInChI=1S/C6H8O7.C3H8O3.3C2H4O2/c7-3(8)1-6(13,5(11)12)2-4(9)10;4-1-3(6)2-5;3*1-2(3)4/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3-6H,1-2H2;3*1H3,(H,3,4)
InChIKeyOYZDGIYVKXJRNI-UHFFFAOYSA-N
XLogP-2.64
TPSA304.72 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.37
LogP ≤ 5-2.64
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Analyze acetic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol
CID 159368405
azane;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol;hydrofluoride
CID 174525270
acetic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;λ2-plumbane
CID 173011758
acetic acid;azane;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrochloride
CID 173355303
ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2-diol
CID 158644905
acetic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;propanedioic acid
CID 162128666
2-hydroxypropane-1,2,3-tricarboxylic acid;methanol
CID 87382706
heptane-1,2-diol;bis(2-hydroxypropane-1,2,3-tricarboxylic acid)
CID 87105338
ethanethioic S-acid;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 174953632
ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid;methanol
CID 161021171
azane;ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 173341886
2,3-dihydroxypropyl 2-hydroxypropanoate;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 175806605

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol?
The IUPAC name of acetic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol (CID 174618954) is acetic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol.
What is the SMILES notation for acetic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol?
The canonical SMILES for acetic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol is CC(=O)O.CC(=O)O.CC(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O.OCC(O)CO.
What is the InChIKey of acetic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol?
The InChIKey is OYZDGIYVKXJRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.C3H8O3.3C2H4O2/c7-3(8)1-6(13,5(11)12)2-4(9)10;4-1-3(6)2-5;3*1-2(3)4/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3-6H,1-2H2;3*1H3,(H,3,4).
What are the key properties of acetic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol?
acetic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol has a molecular weight of 464.37 g/mol, XLogP of -2.64, 7 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-hydroxypropane-1,2,3-tricarboxylic acid;propane-1,2,3-triol is sourced from PubChem (CID 174618954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).