26-(hydroxyamino)-26-oxohexacosanoic acid

C26H51NO4 — CID 87686862

IUPAC26-(hydroxyamino)-26-oxohexacosanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCCCCCCCCCCC(=O)NO
InChIInChI=1S/C26H51NO4/c28-25(27-31)23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26(29)30/h31H,1-24H2,(H,27,28)(H,29,30)
InChIKeyJQQJFFDSJXRFDH-UHFFFAOYSA-N
MW441.70 g/mol
LogP7.94
Rot. Bonds25

About 26-(hydroxyamino)-26-oxohexacosanoic acid

26-(hydroxyamino)-26-oxohexacosanoic acid (PubChem CID 87686862) has the molecular formula C26H51NO4 and a molecular weight of 441.70 g/mol. Its IUPAC name is 26-(hydroxyamino)-26-oxohexacosanoic acid.

Molecular Properties

Compound Name26-(hydroxyamino)-26-oxohexacosanoic acid
PubChem CID87686862
Molecular FormulaC26H51NO4
Molecular Weight441.70 g/mol
Exact Mass441.38
IUPAC Name26-(hydroxyamino)-26-oxohexacosanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCCCCCCCCCCC(=O)NO
InChIInChI=1S/C26H51NO4/c28-25(27-31)23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26(29)30/h31H,1-24H2,(H,27,28)(H,29,30)
InChIKeyJQQJFFDSJXRFDH-UHFFFAOYSA-N
XLogP7.94
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds25
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.70
LogP ≤ 57.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

20-(hydroxyamino)-20-oxoicosanoic acid
CID 87685101
13-(hydroxyamino)-13-oxotridecanoic acid
CID 21490419
1,1'-biphenyl;8-(hydroxyamino)-8-oxooctanoic acid
CID 87482835
tridecanedioic acid;undecanedioic acid
CID 158333715
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
triacontanedioic acid
CID 5322010
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033

Frequently Asked Questions

What is the IUPAC name of 26-(hydroxyamino)-26-oxohexacosanoic acid?
The IUPAC name of 26-(hydroxyamino)-26-oxohexacosanoic acid (CID 87686862) is 26-(hydroxyamino)-26-oxohexacosanoic acid.
What is the SMILES notation for 26-(hydroxyamino)-26-oxohexacosanoic acid?
The canonical SMILES for 26-(hydroxyamino)-26-oxohexacosanoic acid is O=C(O)CCCCCCCCCCCCCCCCCCCCCCCCC(=O)NO.
What is the InChIKey of 26-(hydroxyamino)-26-oxohexacosanoic acid?
The InChIKey is JQQJFFDSJXRFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H51NO4/c28-25(27-31)23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26(29)30/h31H,1-24H2,(H,27,28)(H,29,30).
What are the key properties of 26-(hydroxyamino)-26-oxohexacosanoic acid?
26-(hydroxyamino)-26-oxohexacosanoic acid has a molecular weight of 441.70 g/mol, XLogP of 7.94, 25 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 26-(hydroxyamino)-26-oxohexacosanoic acid is sourced from PubChem (CID 87686862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).