dipotassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetracosan-1-ol

C30H60K2O8 — CID 175149291

IUPACdipotassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetracosan-1-ol
SMILESCCCCCCCCCCCCCCCCCCCCCCCCO.O=C(O)CC(O)(CC(=O)O)C(=O)O.[H-].[H-].[K+].[K+]
InChIInChI=1S/C24H50O.C6H8O7.2K.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25;7-3(8)1-6(13,5(11)12)2-4(9)10;;;;/h25H,2-24H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;/q;;2*+1;2*-1
InChIKeyINMZICNUPHBZRV-UHFFFAOYSA-N
MW627.00 g/mol
LogP1.57
Rot. Bonds27

About dipotassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetracosan-1-ol

dipotassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetracosan-1-ol (PubChem CID 175149291) has the molecular formula C30H60K2O8 and a molecular weight of 627.00 g/mol. Its IUPAC name is dipotassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetracosan-1-ol.

Molecular Properties

Compound Namedipotassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetracosan-1-ol
PubChem CID175149291
Molecular FormulaC30H60K2O8
Molecular Weight627.00 g/mol
Exact Mass626.36
IUPAC Namedipotassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetracosan-1-ol
SMILESCCCCCCCCCCCCCCCCCCCCCCCCO.O=C(O)CC(O)(CC(=O)O)C(=O)O.[H-].[H-].[K+].[K+]
InChIInChI=1S/C24H50O.C6H8O7.2K.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25;7-3(8)1-6(13,5(11)12)2-4(9)10;;;;/h25H,2-24H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;/q;;2*+1;2*-1
InChIKeyINMZICNUPHBZRV-UHFFFAOYSA-N
XLogP1.57
TPSA152.36 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds27
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500627.00
LogP ≤ 51.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dodecan-1-ol;2-hydroxypropane-1,2,3-tricarboxylic acid;trioctylphosphane
CID 174629799
2-hydroxypropane-1,2,3-tricarboxylic acid;octanoic acid
CID 161458349
2-hydroxypropane-1,2,3-tricarboxylic acid;octane;zinc
CID 175369436
2-hydroxy-2-icosylbutanedioic acid
CID 18762279
potassium;hydride;2-hydroxy-2-(2-oxo-2-tetracosoxyethyl)butanedioic acid
CID 175141882
N,N-dimethylhexadecan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 88686314
butanedioic acid;octadecan-1-ol
CID 174509049
azane;ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 173341886
ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid;methanol
CID 161021171
heptane-1,2-diol;bis(2-hydroxypropane-1,2,3-tricarboxylic acid)
CID 87105338
hexapotassium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);tetrahydrate
CID 173194055
potassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;dihydrate
CID 173006482

Frequently Asked Questions

What is the IUPAC name of dipotassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetracosan-1-ol?
The IUPAC name of dipotassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetracosan-1-ol (CID 175149291) is dipotassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetracosan-1-ol.
What is the SMILES notation for dipotassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetracosan-1-ol?
The canonical SMILES for dipotassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetracosan-1-ol is CCCCCCCCCCCCCCCCCCCCCCCCO.O=C(O)CC(O)(CC(=O)O)C(=O)O.[H-].[H-].[K+].[K+].
What is the InChIKey of dipotassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetracosan-1-ol?
The InChIKey is INMZICNUPHBZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O.C6H8O7.2K.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25;7-3(8)1-6(13,5(11)12)2-4(9)10;;;;/h25H,2-24H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;/q;;2*+1;2*-1.
What are the key properties of dipotassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetracosan-1-ol?
dipotassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetracosan-1-ol has a molecular weight of 627.00 g/mol, XLogP of 1.57, 27 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetracosan-1-ol is sourced from PubChem (CID 175149291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).