azane;octadecyl dihydrogen phosphate

C18H42NO4P — CID 87905459

IUPACazane;octadecyl dihydrogen phosphate
SMILESCCCCCCCCCCCCCCCCCCOP(=O)(O)O.N
InChIInChI=1S/C18H39O4P.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;/h2-18H2,1H3,(H2,19,20,21);1H3
InChIKeyHMRDIGSAADRGQE-UHFFFAOYSA-N
MW367.51 g/mol
LogP6.52
Rot. Bonds18

About azane;octadecyl dihydrogen phosphate

azane;octadecyl dihydrogen phosphate (PubChem CID 87905459) has the molecular formula C18H42NO4P and a molecular weight of 367.51 g/mol. Its IUPAC name is azane;octadecyl dihydrogen phosphate.

Molecular Properties

Compound Nameazane;octadecyl dihydrogen phosphate
PubChem CID87905459
Molecular FormulaC18H42NO4P
Molecular Weight367.51 g/mol
Exact Mass367.29
IUPAC Nameazane;octadecyl dihydrogen phosphate
SMILESCCCCCCCCCCCCCCCCCCOP(=O)(O)O.N
InChIInChI=1S/C18H39O4P.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;/h2-18H2,1H3,(H2,19,20,21);1H3
InChIKeyHMRDIGSAADRGQE-UHFFFAOYSA-N
XLogP6.52
TPSA101.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.51
LogP ≤ 56.52
H-Bond Donors ≤ 53
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

octatriacontyl dihydrogen phosphate
CID 140979287
heptyl dihydrogen phosphate;octyl dihydrogen phosphate
CID 160757103
pentatriacontyl dihydrogen phosphate
CID 164897229
hexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate
CID 159430233
iron;octadecyl dihydrogen phosphate
CID 175059517
hexyl dihydrogen phosphate;neodymium
CID 174801976
dodecyl dihydrogen phosphate;indigane
CID 173026750
CID 170842594
CID 170842594
CID 170843971
CID 170843971
alumane;tridecyl dihydrogen phosphate
CID 173322009
ethanol;hexadecyl dihydrogen phosphate
CID 174523308
sodium;hydride;tetradecyl dihydrogen phosphate
CID 173022959

Frequently Asked Questions

What is the IUPAC name of azane;octadecyl dihydrogen phosphate?
The IUPAC name of azane;octadecyl dihydrogen phosphate (CID 87905459) is azane;octadecyl dihydrogen phosphate.
What is the SMILES notation for azane;octadecyl dihydrogen phosphate?
The canonical SMILES for azane;octadecyl dihydrogen phosphate is CCCCCCCCCCCCCCCCCCOP(=O)(O)O.N.
What is the InChIKey of azane;octadecyl dihydrogen phosphate?
The InChIKey is HMRDIGSAADRGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39O4P.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;/h2-18H2,1H3,(H2,19,20,21);1H3.
What are the key properties of azane;octadecyl dihydrogen phosphate?
azane;octadecyl dihydrogen phosphate has a molecular weight of 367.51 g/mol, XLogP of 6.52, 18 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;octadecyl dihydrogen phosphate is sourced from PubChem (CID 87905459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).