25-chloropentacosyl dihydrogen phosphate

C25H52ClO4P — CID 87683690

IUPAC25-chloropentacosyl dihydrogen phosphate
SMILESO=P(O)(O)OCCCCCCCCCCCCCCCCCCCCCCCCCCl
InChIInChI=1S/C25H52ClO4P/c26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-30-31(27,28)29/h1-25H2,(H2,27,28,29)
InChIKeyOAUJVESIHAUGDG-UHFFFAOYSA-N
MW483.11 g/mol
LogP9.31
Rot. Bonds26

About 25-chloropentacosyl dihydrogen phosphate

25-chloropentacosyl dihydrogen phosphate (PubChem CID 87683690) has the molecular formula C25H52ClO4P and a molecular weight of 483.11 g/mol. Its IUPAC name is 25-chloropentacosyl dihydrogen phosphate.

Molecular Properties

Compound Name25-chloropentacosyl dihydrogen phosphate
PubChem CID87683690
Molecular FormulaC25H52ClO4P
Molecular Weight483.11 g/mol
Exact Mass482.33
IUPAC Name25-chloropentacosyl dihydrogen phosphate
SMILESO=P(O)(O)OCCCCCCCCCCCCCCCCCCCCCCCCCCl
InChIInChI=1S/C25H52ClO4P/c26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-30-31(27,28)29/h1-25H2,(H2,27,28,29)
InChIKeyOAUJVESIHAUGDG-UHFFFAOYSA-N
XLogP9.31
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds26
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.11
LogP ≤ 59.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

13-chlorotridecyl dihydrogen phosphate
CID 87684789
9-phosphonooxynonyl dihydrogen phosphate
CID 142711404
10-phosphonooxydecyl dihydrogen phosphate
CID 19764276
4-chlorobutoxyphosphonamidic acid
CID 87844580
12-hydroxydodecyl dihydrogen phosphate
CID 24830904
8-hydroxyoctyl dihydrogen phosphate
CID 87681858
octatriacontyl dihydrogen phosphate
CID 140979287
25-iodopentacosyl dihydrogen phosphate
CID 87683330
15-aminopentadecyl dihydrogen phosphate
CID 87683192
30-bromotriacontyl dihydrogen phosphate
CID 87684880
38-aminooctatriacontyl dihydrogen phosphate
CID 87686318
31-iodohentriacontyl dihydrogen phosphate
CID 87681796

Frequently Asked Questions

What is the IUPAC name of 25-chloropentacosyl dihydrogen phosphate?
The IUPAC name of 25-chloropentacosyl dihydrogen phosphate (CID 87683690) is 25-chloropentacosyl dihydrogen phosphate.
What is the SMILES notation for 25-chloropentacosyl dihydrogen phosphate?
The canonical SMILES for 25-chloropentacosyl dihydrogen phosphate is O=P(O)(O)OCCCCCCCCCCCCCCCCCCCCCCCCCCl.
What is the InChIKey of 25-chloropentacosyl dihydrogen phosphate?
The InChIKey is OAUJVESIHAUGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52ClO4P/c26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-30-31(27,28)29/h1-25H2,(H2,27,28,29).
What are the key properties of 25-chloropentacosyl dihydrogen phosphate?
25-chloropentacosyl dihydrogen phosphate has a molecular weight of 483.11 g/mol, XLogP of 9.31, 26 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 25-chloropentacosyl dihydrogen phosphate is sourced from PubChem (CID 87683690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).