22-phosphonooxydocosylphosphonic acid

C22H48O7P2 — CID 87682579

IUPAC22-phosphonooxydocosylphosphonic acid
SMILESO=P(O)(O)CCCCCCCCCCCCCCCCCCCCCCOP(=O)(O)O
InChIInChI=1S/C22H48O7P2/c23-30(24,25)22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-29-31(26,27)28/h1-22H2,(H2,23,24,25)(H2,26,27,28)
InChIKeyOCSDCGSKLNXGMX-UHFFFAOYSA-N
MW486.57 g/mol
LogP7.08
Rot. Bonds24

About 22-phosphonooxydocosylphosphonic acid

22-phosphonooxydocosylphosphonic acid (PubChem CID 87682579) has the molecular formula C22H48O7P2 and a molecular weight of 486.57 g/mol. Its IUPAC name is 22-phosphonooxydocosylphosphonic acid.

Molecular Properties

Compound Name22-phosphonooxydocosylphosphonic acid
PubChem CID87682579
Molecular FormulaC22H48O7P2
Molecular Weight486.57 g/mol
Exact Mass486.29
IUPAC Name22-phosphonooxydocosylphosphonic acid
SMILESO=P(O)(O)CCCCCCCCCCCCCCCCCCCCCCOP(=O)(O)O
InChIInChI=1S/C22H48O7P2/c23-30(24,25)22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-29-31(26,27)28/h1-22H2,(H2,23,24,25)(H2,26,27,28)
InChIKeyOCSDCGSKLNXGMX-UHFFFAOYSA-N
XLogP7.08
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.57
LogP ≤ 57.08
H-Bond Donors ≤ 54
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

39-phosphonooxynonatriacontylphosphonic acid
CID 87684793
9-phosphonooxynonyl dihydrogen phosphate
CID 142711404
10-phosphonooxydecyl dihydrogen phosphate
CID 19764276
5-phosphonopentylphosphonic acid
CID 2773804
12-hydroxydodecyl dihydrogen phosphate
CID 24830904
8-hydroxyoctyl dihydrogen phosphate
CID 87681858
hexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate
CID 159430233
13-chlorotridecyl dihydrogen phosphate
CID 87684789
30-aminotriacontyl dihydrogen phosphate
CID 87681380
25-chloropentacosyl dihydrogen phosphate
CID 87683690
30-bromotriacontyl dihydrogen phosphate
CID 87684880
38-aminooctatriacontyl dihydrogen phosphate
CID 87686318

Frequently Asked Questions

What is the IUPAC name of 22-phosphonooxydocosylphosphonic acid?
The IUPAC name of 22-phosphonooxydocosylphosphonic acid (CID 87682579) is 22-phosphonooxydocosylphosphonic acid.
What is the SMILES notation for 22-phosphonooxydocosylphosphonic acid?
The canonical SMILES for 22-phosphonooxydocosylphosphonic acid is O=P(O)(O)CCCCCCCCCCCCCCCCCCCCCCOP(=O)(O)O.
What is the InChIKey of 22-phosphonooxydocosylphosphonic acid?
The InChIKey is OCSDCGSKLNXGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48O7P2/c23-30(24,25)22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-29-31(26,27)28/h1-22H2,(H2,23,24,25)(H2,26,27,28).
What are the key properties of 22-phosphonooxydocosylphosphonic acid?
22-phosphonooxydocosylphosphonic acid has a molecular weight of 486.57 g/mol, XLogP of 7.08, 24 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 22-phosphonooxydocosylphosphonic acid is sourced from PubChem (CID 87682579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).