2-hydroxypropane-1,2,3-tricarboxylic acid;octane;zinc

C14H25O7Zn- — CID 175369436

IUPAC2-hydroxypropane-1,2,3-tricarboxylic acid;octane;zinc
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.[CH2-]CCCCCCC.[Zn]
InChIInChI=1S/C8H17.C6H8O7.Zn/c1-3-5-7-8-6-4-2;7-3(8)1-6(13,5(11)12)2-4(9)10;/h1,3-8H2,2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q-1;;
InChIKeyKGIGNCQVGKWUHW-UHFFFAOYSA-N
MW370.74 g/mol
LogP1.93
Rot. Bonds10

About 2-hydroxypropane-1,2,3-tricarboxylic acid;octane;zinc

2-hydroxypropane-1,2,3-tricarboxylic acid;octane;zinc (PubChem CID 175369436) has the molecular formula C14H25O7Zn- and a molecular weight of 370.74 g/mol. Its IUPAC name is 2-hydroxypropane-1,2,3-tricarboxylic acid;octane;zinc.

Molecular Properties

Compound Name2-hydroxypropane-1,2,3-tricarboxylic acid;octane;zinc
PubChem CID175369436
Molecular FormulaC14H25O7Zn-
Molecular Weight370.74 g/mol
Exact Mass369.09
IUPAC Name2-hydroxypropane-1,2,3-tricarboxylic acid;octane;zinc
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.[CH2-]CCCCCCC.[Zn]
InChIInChI=1S/C8H17.C6H8O7.Zn/c1-3-5-7-8-6-4-2;7-3(8)1-6(13,5(11)12)2-4(9)10;/h1,3-8H2,2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q-1;;
InChIKeyKGIGNCQVGKWUHW-UHFFFAOYSA-N
XLogP1.93
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.74
LogP ≤ 51.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

disodium;dodecane;hydrogen sulfate;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 158627519
2-hydroxypropane-1,2,3-tricarboxylic acid;octanoic acid
CID 161458349
2-hydroxy-2-icosylbutanedioic acid
CID 18762279
dipotassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetracosan-1-ol
CID 175149291
N,N-dimethylhexadecan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 88686314
dioctyl butanedioate;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 175125683
2-(2-hexacosoxy-2-oxoethyl)-2-hydroxybutanedioic acid
CID 175138993
2-hydroxy-2-(2-oxo-2-tetracosoxyethyl)butanedioic acid
CID 175141883
sodium;3-carboxy-3,5-dihydroxy-5-oxopentanoate;decanoic acid
CID 162001356
bis(N-butylbutan-1-amine);2-hydroxypropane-1,2,3-tricarboxylic acid
CID 173418121
N,N-dibutylbutan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 87904249
dodecan-1-ol;2-hydroxypropane-1,2,3-tricarboxylic acid;trioctylphosphane
CID 174629799

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropane-1,2,3-tricarboxylic acid;octane;zinc?
The IUPAC name of 2-hydroxypropane-1,2,3-tricarboxylic acid;octane;zinc (CID 175369436) is 2-hydroxypropane-1,2,3-tricarboxylic acid;octane;zinc.
What is the SMILES notation for 2-hydroxypropane-1,2,3-tricarboxylic acid;octane;zinc?
The canonical SMILES for 2-hydroxypropane-1,2,3-tricarboxylic acid;octane;zinc is O=C(O)CC(O)(CC(=O)O)C(=O)O.[CH2-]CCCCCCC.[Zn].
What is the InChIKey of 2-hydroxypropane-1,2,3-tricarboxylic acid;octane;zinc?
The InChIKey is KGIGNCQVGKWUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17.C6H8O7.Zn/c1-3-5-7-8-6-4-2;7-3(8)1-6(13,5(11)12)2-4(9)10;/h1,3-8H2,2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q-1;;.
What are the key properties of 2-hydroxypropane-1,2,3-tricarboxylic acid;octane;zinc?
2-hydroxypropane-1,2,3-tricarboxylic acid;octane;zinc has a molecular weight of 370.74 g/mol, XLogP of 1.93, 10 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;octane;zinc is sourced from PubChem (CID 175369436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).