trihydroxy(tetracosyl)azanium

C24H52NO3+ — CID 175938405

IUPACtrihydroxy(tetracosyl)azanium
SMILESCCCCCCCCCCCCCCCCCCCCCCCC[N+](O)(O)O
InChIInChI=1S/C24H52NO3/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(26,27)28/h26-28H,2-24H2,1H3/q+1
InChIKeySJVAHZHFAFWUKM-UHFFFAOYSA-N
MW402.68 g/mol
LogP8.57
Rot. Bonds23

About trihydroxy(tetracosyl)azanium

trihydroxy(tetracosyl)azanium (PubChem CID 175938405) has the molecular formula C24H52NO3+ and a molecular weight of 402.68 g/mol. Its IUPAC name is trihydroxy(tetracosyl)azanium.

Molecular Properties

Compound Nametrihydroxy(tetracosyl)azanium
PubChem CID175938405
Molecular FormulaC24H52NO3+
Molecular Weight402.68 g/mol
Exact Mass402.39
IUPAC Nametrihydroxy(tetracosyl)azanium
SMILESCCCCCCCCCCCCCCCCCCCCCCCC[N+](O)(O)O
InChIInChI=1S/C24H52NO3/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(26,27)28/h26-28H,2-24H2,1H3/q+1
InChIKeySJVAHZHFAFWUKM-UHFFFAOYSA-N
XLogP8.57
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.68
LogP ≤ 58.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

hexadecyl-hydroxy-dioctadecylazanium
CID 19073496
didecyl-hydroxy-methylazanium chloride
CID 175336679
butyl-dihydroxy-icosylazanium bromide
CID 174881725
dihexadecyl-hydroxy-propylazanium
CID 87484361
hydroxy-dimethyl-octadecylazanium hydroxide
CID 139772700
hydroxy-dimethyl-tetracosylazanium chloride
CID 158718920
N-heptadecyl-N-hydroxyoctadecan-1-amine oxide
CID 134330711
diethyl-heptadecyl-hydroxyazanium
CID 158229667
hexyl(trioctadecyl)azanium
CID 87809933
octyl-tri(pentadecyl)azanium
CID 87809127
dodecyl(triheptyl)azanium
CID 12049151
tri(heptadecyl)-octylazanium
CID 87809516

Frequently Asked Questions

What is the IUPAC name of trihydroxy(tetracosyl)azanium?
The IUPAC name of trihydroxy(tetracosyl)azanium (CID 175938405) is trihydroxy(tetracosyl)azanium.
What is the SMILES notation for trihydroxy(tetracosyl)azanium?
The canonical SMILES for trihydroxy(tetracosyl)azanium is CCCCCCCCCCCCCCCCCCCCCCCC[N+](O)(O)O.
What is the InChIKey of trihydroxy(tetracosyl)azanium?
The InChIKey is SJVAHZHFAFWUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H52NO3/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(26,27)28/h26-28H,2-24H2,1H3/q+1.
What are the key properties of trihydroxy(tetracosyl)azanium?
trihydroxy(tetracosyl)azanium has a molecular weight of 402.68 g/mol, XLogP of 8.57, 23 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy(tetracosyl)azanium is sourced from PubChem (CID 175938405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).