[(2R)-2-azaniumyl-3-hexadecoxypropyl] phosphate

C19H41NO5P- — CID 86289358

IUPAC[(2R)-2-azaniumyl-3-hexadecoxypropyl] phosphate
SMILESCCCCCCCCCCCCCCCCOC[C@@H]([NH3+])COP(=O)([O-])[O-]
InChIInChI=1S/C19H42NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-17-19(20)18-25-26(21,22)23/h19H,2-18,20H2,1H3,(H2,21,22,23)/p-1/t19-/m1/s1
InChIKeyNUFRVARDGMBEFJ-LJQANCHMSA-M
MW394.51 g/mol
LogP2.94
Rot. Bonds20

About [(2R)-2-azaniumyl-3-hexadecoxypropyl] phosphate

[(2R)-2-azaniumyl-3-hexadecoxypropyl] phosphate (PubChem CID 86289358) has the molecular formula C19H41NO5P- and a molecular weight of 394.51 g/mol. Its IUPAC name is [(2R)-2-azaniumyl-3-hexadecoxypropyl] phosphate.

Molecular Properties

Compound Name[(2R)-2-azaniumyl-3-hexadecoxypropyl] phosphate
PubChem CID86289358
Molecular FormulaC19H41NO5P-
Molecular Weight394.51 g/mol
Exact Mass394.27
IUPAC Name[(2R)-2-azaniumyl-3-hexadecoxypropyl] phosphate
SMILESCCCCCCCCCCCCCCCCOC[C@@H]([NH3+])COP(=O)([O-])[O-]
InChIInChI=1S/C19H42NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-17-19(20)18-25-26(21,22)23/h19H,2-18,20H2,1H3,(H2,21,22,23)/p-1/t19-/m1/s1
InChIKeyNUFRVARDGMBEFJ-LJQANCHMSA-M
XLogP2.94
TPSA109.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.51
LogP ≤ 52.94
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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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-azaniumyl-3-hexadecoxypropyl] phosphate?
The IUPAC name of [(2R)-2-azaniumyl-3-hexadecoxypropyl] phosphate (CID 86289358) is [(2R)-2-azaniumyl-3-hexadecoxypropyl] phosphate.
What is the SMILES notation for [(2R)-2-azaniumyl-3-hexadecoxypropyl] phosphate?
The canonical SMILES for [(2R)-2-azaniumyl-3-hexadecoxypropyl] phosphate is CCCCCCCCCCCCCCCCOC[C@@H]([NH3+])COP(=O)([O-])[O-].
What is the InChIKey of [(2R)-2-azaniumyl-3-hexadecoxypropyl] phosphate?
The InChIKey is NUFRVARDGMBEFJ-LJQANCHMSA-M. The full InChI is InChI=1S/C19H42NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-17-19(20)18-25-26(21,22)23/h19H,2-18,20H2,1H3,(H2,21,22,23)/p-1/t19-/m1/s1.
What are the key properties of [(2R)-2-azaniumyl-3-hexadecoxypropyl] phosphate?
[(2R)-2-azaniumyl-3-hexadecoxypropyl] phosphate has a molecular weight of 394.51 g/mol, XLogP of 2.94, 20 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-azaniumyl-3-hexadecoxypropyl] phosphate is sourced from PubChem (CID 86289358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).