dilithium;octacosyl phosphate

C28H57Li2O4P — CID 139820226

IUPACdilithium;octacosyl phosphate
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-].[Li+].[Li+]
InChIInChI=1S/C28H59O4P.2Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-32-33(29,30)31;;/h2-28H2,1H3,(H2,29,30,31);;/q;2*+1/p-2
InChIKeyALYYNESSOHISNX-UHFFFAOYSA-L
MW502.62 g/mol
LogP3.00
Rot. Bonds28

About dilithium;octacosyl phosphate

dilithium;octacosyl phosphate (PubChem CID 139820226) has the molecular formula C28H57Li2O4P and a molecular weight of 502.62 g/mol. Its IUPAC name is dilithium;octacosyl phosphate.

Molecular Properties

Compound Namedilithium;octacosyl phosphate
PubChem CID139820226
Molecular FormulaC28H57Li2O4P
Molecular Weight502.62 g/mol
Exact Mass502.43
IUPAC Namedilithium;octacosyl phosphate
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-].[Li+].[Li+]
InChIInChI=1S/C28H59O4P.2Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-32-33(29,30)31;;/h2-28H2,1H3,(H2,29,30,31);;/q;2*+1/p-2
InChIKeyALYYNESSOHISNX-UHFFFAOYSA-L
XLogP3.00
TPSA72.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds28
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.62
LogP ≤ 53.00
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

dilithium;tridecyl phosphate
CID 159999815
dilithium;tetradecyl phosphate
CID 139820221
calcium dotriacontyl phosphate
CID 164901019
disodium;zinc;bis(hexadecyl phosphate)
CID 71736811
calcium tetradecyl phosphate
CID 172742428
aluminum nonyl phosphate
CID 19089706
azanium tetradecyl phosphate
CID 19028533
bis(neodymium(3+));octyl phosphate
CID 141387677
dipotassium;octyl phosphate
CID 29394
calcium;sodium;pentadecyl phosphate
CID 172731404
dipotassium;tetradecyl phosphate
CID 11089999
dipotassium;octadecyl phosphate
CID 20511704

Frequently Asked Questions

What is the IUPAC name of dilithium;octacosyl phosphate?
The IUPAC name of dilithium;octacosyl phosphate (CID 139820226) is dilithium;octacosyl phosphate.
What is the SMILES notation for dilithium;octacosyl phosphate?
The canonical SMILES for dilithium;octacosyl phosphate is CCCCCCCCCCCCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-].[Li+].[Li+].
What is the InChIKey of dilithium;octacosyl phosphate?
The InChIKey is ALYYNESSOHISNX-UHFFFAOYSA-L. The full InChI is InChI=1S/C28H59O4P.2Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-32-33(29,30)31;;/h2-28H2,1H3,(H2,29,30,31);;/q;2*+1/p-2.
What are the key properties of dilithium;octacosyl phosphate?
dilithium;octacosyl phosphate has a molecular weight of 502.62 g/mol, XLogP of 3.00, 28 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;octacosyl phosphate is sourced from PubChem (CID 139820226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).