24-phosphonooxytetracosanoic acid

C24H49O6P — CID 87680802

IUPAC24-phosphonooxytetracosanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCCCCCCCCCOP(=O)(O)O
InChIInChI=1S/C24H49O6P/c25-24(26)22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-30-31(27,28)29/h1-23H2,(H,25,26)(H2,27,28,29)
InChIKeyOWZBQBFNZPLLPJ-UHFFFAOYSA-N
MW464.62 g/mol
LogP7.76
Rot. Bonds25

About 24-phosphonooxytetracosanoic acid

24-phosphonooxytetracosanoic acid (PubChem CID 87680802) has the molecular formula C24H49O6P and a molecular weight of 464.62 g/mol. Its IUPAC name is 24-phosphonooxytetracosanoic acid.

Molecular Properties

Compound Name24-phosphonooxytetracosanoic acid
PubChem CID87680802
Molecular FormulaC24H49O6P
Molecular Weight464.62 g/mol
Exact Mass464.33
IUPAC Name24-phosphonooxytetracosanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCCCCCCCCCOP(=O)(O)O
InChIInChI=1S/C24H49O6P/c25-24(26)22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-30-31(27,28)29/h1-23H2,(H,25,26)(H2,27,28,29)
InChIKeyOWZBQBFNZPLLPJ-UHFFFAOYSA-N
XLogP7.76
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds25
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.62
LogP ≤ 57.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

35-phosphonooxypentatriacontanoic acid
CID 87686848
9-phosphonooxynonyl dihydrogen phosphate
CID 142711404
10-phosphonooxydecyl dihydrogen phosphate
CID 19764276
5-[hydroxy(methyl)phosphoryl]oxypentanoic acid
CID 139636947
(Z)-octadec-9-enoic acid;[(Z)-octadec-9-enyl] dihydrogen phosphate
CID 157438661
hexadecyl dihydrogen phosphate;2-(2-hydroxyethylamino)ethanol;octadecanoic acid
CID 88516140
[20-(hydroxyamino)-20-oxoicosyl] dihydrogen phosphate
CID 87682987
[23-(hydroxyamino)-23-oxotricosyl] dihydrogen phosphate
CID 87682580
[31-(hydroxyamino)-31-oxohentriacontyl] dihydrogen phosphate
CID 87683294
[13-(hydroxyamino)-13-oxotridecyl] dihydrogen phosphate
CID 87681307
[15-(hydroxyamino)-15-oxopentadecyl] dihydrogen phosphate
CID 87685795
octadecanoic acid;trioctyl phosphate
CID 87588558

Frequently Asked Questions

What is the IUPAC name of 24-phosphonooxytetracosanoic acid?
The IUPAC name of 24-phosphonooxytetracosanoic acid (CID 87680802) is 24-phosphonooxytetracosanoic acid.
What is the SMILES notation for 24-phosphonooxytetracosanoic acid?
The canonical SMILES for 24-phosphonooxytetracosanoic acid is O=C(O)CCCCCCCCCCCCCCCCCCCCCCCOP(=O)(O)O.
What is the InChIKey of 24-phosphonooxytetracosanoic acid?
The InChIKey is OWZBQBFNZPLLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49O6P/c25-24(26)22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-30-31(27,28)29/h1-23H2,(H,25,26)(H2,27,28,29).
What are the key properties of 24-phosphonooxytetracosanoic acid?
24-phosphonooxytetracosanoic acid has a molecular weight of 464.62 g/mol, XLogP of 7.76, 25 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 24-phosphonooxytetracosanoic acid is sourced from PubChem (CID 87680802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).