26-bromohexacosylphosphonic acid

C26H54BrO3P — CID 87681118

IUPAC26-bromohexacosylphosphonic acid
SMILESO=P(O)(O)CCCCCCCCCCCCCCCCCCCCCCCCCCBr
InChIInChI=1S/C26H54BrO3P/c27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-31(28,29)30/h1-26H2,(H2,28,29,30)
InChIKeyVKFXIQKPRUGDHV-UHFFFAOYSA-N
MW525.59 g/mol
LogP9.92
Rot. Bonds26

About 26-bromohexacosylphosphonic acid

26-bromohexacosylphosphonic acid (PubChem CID 87681118) has the molecular formula C26H54BrO3P and a molecular weight of 525.59 g/mol. Its IUPAC name is 26-bromohexacosylphosphonic acid.

Molecular Properties

Compound Name26-bromohexacosylphosphonic acid
PubChem CID87681118
Molecular FormulaC26H54BrO3P
Molecular Weight525.59 g/mol
Exact Mass524.30
IUPAC Name26-bromohexacosylphosphonic acid
SMILESO=P(O)(O)CCCCCCCCCCCCCCCCCCCCCCCCCCBr
InChIInChI=1S/C26H54BrO3P/c27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-31(28,29)30/h1-26H2,(H2,28,29,30)
InChIKeyVKFXIQKPRUGDHV-UHFFFAOYSA-N
XLogP9.92
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds26
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.59
LogP ≤ 59.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

19-bromononadecylphosphonic acid
CID 87687011
38-bromooctatriacontylphosphonic acid
CID 87683541
27-bromoheptacosylphosphonic acid
CID 87683484
11-bromoundecylphosphonic acid
CID 87683960
5-bromopentylphosphonic acid
CID 22708594
5-phosphonopentylphosphonic acid
CID 2773804
7-sulfanylheptylphosphonic acid
CID 87685663
hexylphosphonic acid;octylphosphonic acid
CID 155346901
17-iodoheptadecylphosphonic acid
CID 87684337
24-sulfanyltetracosylphosphonic acid
CID 87685471
10-iododecylphosphonic acid
CID 87686645
7-iodoheptylphosphonic acid
CID 87684767

Frequently Asked Questions

What is the IUPAC name of 26-bromohexacosylphosphonic acid?
The IUPAC name of 26-bromohexacosylphosphonic acid (CID 87681118) is 26-bromohexacosylphosphonic acid.
What is the SMILES notation for 26-bromohexacosylphosphonic acid?
The canonical SMILES for 26-bromohexacosylphosphonic acid is O=P(O)(O)CCCCCCCCCCCCCCCCCCCCCCCCCCBr.
What is the InChIKey of 26-bromohexacosylphosphonic acid?
The InChIKey is VKFXIQKPRUGDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54BrO3P/c27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-31(28,29)30/h1-26H2,(H2,28,29,30).
What are the key properties of 26-bromohexacosylphosphonic acid?
26-bromohexacosylphosphonic acid has a molecular weight of 525.59 g/mol, XLogP of 9.92, 26 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 26-bromohexacosylphosphonic acid is sourced from PubChem (CID 87681118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).