diicosyl phosphate

C40H82O4P- — CID 21219883

IUPACdiicosyl phosphate
SMILESCCCCCCCCCCCCCCCCCCCCOP(=O)([O-])OCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C40H83O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-43-45(41,42)44-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3,(H,41,42)/p-1
InChIKeyXFANRJNPWHYBMX-UHFFFAOYSA-M
MW658.07 g/mol
LogP14.57
Rot. Bonds40

About diicosyl phosphate

diicosyl phosphate (PubChem CID 21219883) has the molecular formula C40H82O4P- and a molecular weight of 658.07 g/mol. Its IUPAC name is diicosyl phosphate.

Molecular Properties

Compound Namediicosyl phosphate
PubChem CID21219883
Molecular FormulaC40H82O4P-
Molecular Weight658.07 g/mol
Exact Mass657.60
IUPAC Namediicosyl phosphate
SMILESCCCCCCCCCCCCCCCCCCCCOP(=O)([O-])OCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C40H83O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-43-45(41,42)44-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3,(H,41,42)/p-1
InChIKeyXFANRJNPWHYBMX-UHFFFAOYSA-M
XLogP14.57
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds40
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.07
LogP ≤ 514.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

disodium bis(dioctadecyl phosphate)
CID 172826116
zinc bis(dinonyl phosphate)
CID 87237924
beryllium bis(dihexadecyl phosphate)
CID 102241208
chromium(2+);dihexyl phosphate
CID 18626712
2-[decoxy(oxido)phosphoryl]oxyethyl decyl phosphate
CID 102130313
azanium didecyl phosphate
CID 157179907
potassium dodecyl octyl phosphate
CID 175269895
calcium bis(dihexyl phosphate)
CID 159957382
bis(dioctyl phosphate);oxotitanium(2+)
CID 139722402
sodium butyl decyl phosphate
CID 174997110
dipentyl phosphate;nickel(2+)
CID 22743882
ethyl hexyl phosphate
CID 22057005

Frequently Asked Questions

What is the IUPAC name of diicosyl phosphate?
The IUPAC name of diicosyl phosphate (CID 21219883) is diicosyl phosphate.
What is the SMILES notation for diicosyl phosphate?
The canonical SMILES for diicosyl phosphate is CCCCCCCCCCCCCCCCCCCCOP(=O)([O-])OCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of diicosyl phosphate?
The InChIKey is XFANRJNPWHYBMX-UHFFFAOYSA-M. The full InChI is InChI=1S/C40H83O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-43-45(41,42)44-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3,(H,41,42)/p-1.
What are the key properties of diicosyl phosphate?
diicosyl phosphate has a molecular weight of 658.07 g/mol, XLogP of 14.57, 40 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diicosyl phosphate is sourced from PubChem (CID 21219883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).