trisodium;octadecan-1-ol;phosphate

C18H38Na3O5P — CID 173304985

IUPACtrisodium;octadecan-1-ol;phosphate
SMILESCCCCCCCCCCCCCCCCCCO.O=P([O-])([O-])[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/C18H38O.3Na.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;;;;1-5(2,3)4/h19H,2-18H2,1H3;;;;(H3,1,2,3,4)/q;3*+1;/p-3
InChIKeyIOLKLSVQBFJUPY-UHFFFAOYSA-K
MW434.44 g/mol
LogP-5.57
Rot. Bonds16

About trisodium;octadecan-1-ol;phosphate

trisodium;octadecan-1-ol;phosphate (PubChem CID 173304985) has the molecular formula C18H38Na3O5P and a molecular weight of 434.44 g/mol. Its IUPAC name is trisodium;octadecan-1-ol;phosphate.

Molecular Properties

Compound Nametrisodium;octadecan-1-ol;phosphate
PubChem CID173304985
Molecular FormulaC18H38Na3O5P
Molecular Weight434.44 g/mol
Exact Mass434.21
IUPAC Nametrisodium;octadecan-1-ol;phosphate
SMILESCCCCCCCCCCCCCCCCCCO.O=P([O-])([O-])[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/C18H38O.3Na.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;;;;1-5(2,3)4/h19H,2-18H2,1H3;;;;(H3,1,2,3,4)/q;3*+1;/p-3
InChIKeyIOLKLSVQBFJUPY-UHFFFAOYSA-K
XLogP-5.57
TPSA106.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 5-5.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

sodium;dodecan-1-ol;hydride;phosphoric acid
CID 173189206
heptadecan-1-ol;phosphoric acid
CID 174616506
octadecan-1-ol;phosphoric acid;zinc
CID 175122102
phosphoric acid;silane;tridecan-1-ol
CID 174860606
sodium;dodecan-1-ol;hydride
CID 173039865
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398
heptan-1-ol;nonan-1-ol
CID 160785033
heptatriacontan-1-ol
CID 537071
hexan-1-ol;nonan-1-ol
CID 159104620
nonan-1-ol;tetradecan-1-ol
CID 174944242
undecan-1-ol
CID 122455065

Frequently Asked Questions

What is the IUPAC name of trisodium;octadecan-1-ol;phosphate?
The IUPAC name of trisodium;octadecan-1-ol;phosphate (CID 173304985) is trisodium;octadecan-1-ol;phosphate.
What is the SMILES notation for trisodium;octadecan-1-ol;phosphate?
The canonical SMILES for trisodium;octadecan-1-ol;phosphate is CCCCCCCCCCCCCCCCCCO.O=P([O-])([O-])[O-].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;octadecan-1-ol;phosphate?
The InChIKey is IOLKLSVQBFJUPY-UHFFFAOYSA-K. The full InChI is InChI=1S/C18H38O.3Na.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;;;;1-5(2,3)4/h19H,2-18H2,1H3;;;;(H3,1,2,3,4)/q;3*+1;/p-3.
What are the key properties of trisodium;octadecan-1-ol;phosphate?
trisodium;octadecan-1-ol;phosphate has a molecular weight of 434.44 g/mol, XLogP of -5.57, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;octadecan-1-ol;phosphate is sourced from PubChem (CID 173304985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).