azane;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;octadecan-1-ol

C18H46N2O6P2+2 — CID 173412749

IUPACazane;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;octadecan-1-ol
SMILESCCCCCCCCCCCCCCCCCCO.N.N.O=[P+](O)O[P+](=O)O
InChIInChI=1S/C18H38O.2H3N.O5P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;;;1-6(2)5-7(3)4/h19H,2-18H2,1H3;2*1H3;/p+2
InChIKeyHRHKOYZXTUZCMS-UHFFFAOYSA-P
MW448.52 g/mol
LogP6.87
Rot. Bonds18

About azane;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;octadecan-1-ol

azane;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;octadecan-1-ol (PubChem CID 173412749) has the molecular formula C18H46N2O6P2+2 and a molecular weight of 448.52 g/mol. Its IUPAC name is azane;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;octadecan-1-ol.

Molecular Properties

Compound Nameazane;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;octadecan-1-ol
PubChem CID173412749
Molecular FormulaC18H46N2O6P2+2
Molecular Weight448.52 g/mol
Exact Mass448.28
IUPAC Nameazane;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;octadecan-1-ol
SMILESCCCCCCCCCCCCCCCCCCO.N.N.O=[P+](O)O[P+](=O)O
InChIInChI=1S/C18H38O.2H3N.O5P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;;;1-6(2)5-7(3)4/h19H,2-18H2,1H3;2*1H3;/p+2
InChIKeyHRHKOYZXTUZCMS-UHFFFAOYSA-P
XLogP6.87
TPSA174.06 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.52
LogP ≤ 56.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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

decan-1-ol;dihydroxy(oxo)phosphanium
CID 162195755
dihydroxy(oxo)phosphanium;tridecan-1-ol
CID 174863686
bis(dihydroxy(oxo)phosphanium);pentan-1-ol
CID 88669892
azane;nonan-1-ol
CID 87249483
dipotassium;oxido-oxo-phosphooxyphosphanium;pentadecan-1-ol
CID 173412514
calcium;heptan-1-ol;oxido-oxo-phosphooxyphosphanium
CID 88678862
tetrasodium;nonan-1-ol;bis(oxido-oxo-phosphooxyphosphanium)
CID 159420357
azane;decan-1-ol;hydrate
CID 174925863
heptatriacontan-1-ol
CID 537071
decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426
dodecan-1-ol;tetradecan-1-ol
CID 21281432

Frequently Asked Questions

What is the IUPAC name of azane;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;octadecan-1-ol?
The IUPAC name of azane;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;octadecan-1-ol (CID 173412749) is azane;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;octadecan-1-ol.
What is the SMILES notation for azane;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;octadecan-1-ol?
The canonical SMILES for azane;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;octadecan-1-ol is CCCCCCCCCCCCCCCCCCO.N.N.O=[P+](O)O[P+](=O)O.
What is the InChIKey of azane;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;octadecan-1-ol?
The InChIKey is HRHKOYZXTUZCMS-UHFFFAOYSA-P. The full InChI is InChI=1S/C18H38O.2H3N.O5P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;;;1-6(2)5-7(3)4/h19H,2-18H2,1H3;2*1H3;/p+2.
What are the key properties of azane;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;octadecan-1-ol?
azane;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;octadecan-1-ol has a molecular weight of 448.52 g/mol, XLogP of 6.87, 18 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;octadecan-1-ol is sourced from PubChem (CID 173412749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).