trihydroxy-[2-[[(Z)-octadec-9-enoyl]amino]ethoxy]phosphanium

C20H41NO5P+ — CID 89021568

IUPACtrihydroxy-[2-[[(Z)-octadec-9-enoyl]amino]ethoxy]phosphanium
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NCCO[P+](O)(O)O
InChIInChI=1S/C20H40NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)21-18-19-26-27(23,24)25/h9-10,23-25H,2-8,11-19H2,1H3/p+1/b10-9-
InChIKeyGVWKNDIRELUQEY-KTKRTIGZSA-O
MW406.52 g/mol
LogP4.81
Rot. Bonds19

About trihydroxy-[2-[[(Z)-octadec-9-enoyl]amino]ethoxy]phosphanium

trihydroxy-[2-[[(Z)-octadec-9-enoyl]amino]ethoxy]phosphanium (PubChem CID 89021568) has the molecular formula C20H41NO5P+ and a molecular weight of 406.52 g/mol. Its IUPAC name is trihydroxy-[2-[[(Z)-octadec-9-enoyl]amino]ethoxy]phosphanium.

Molecular Properties

Compound Nametrihydroxy-[2-[[(Z)-octadec-9-enoyl]amino]ethoxy]phosphanium
PubChem CID89021568
Molecular FormulaC20H41NO5P+
Molecular Weight406.52 g/mol
Exact Mass406.27
IUPAC Nametrihydroxy-[2-[[(Z)-octadec-9-enoyl]amino]ethoxy]phosphanium
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NCCO[P+](O)(O)O
InChIInChI=1S/C20H40NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)21-18-19-26-27(23,24)25/h9-10,23-25H,2-8,11-19H2,1H3/p+1/b10-9-
InChIKeyGVWKNDIRELUQEY-KTKRTIGZSA-O
XLogP4.81
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.52
LogP ≤ 54.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[(E)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 172898525
N-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 58048841
N-tetradecyloctadec-9-enamide
CID 90860718
(E)-N-[6-[[(E)-octadec-9-enoyl]amino]hexyl]octadec-9-enamide
CID 6296113
N-docos-13-enylhexadecanamide
CID 54193549
(Z)-N-tetradecyldocos-13-enamide
CID 142707286
N-hexyloctadec-9-enamide
CID 57210632
(Z)-N-hexadecyloctadec-9-enamide
CID 87108335
(Z)-N-[3-[[(Z)-octadec-9-enoyl]amino]propyl]octadec-9-enamide
CID 87571008
(E)-N-pentadecyloctadec-9-enamide
CID 166963229
(Z)-N-dodecyldocos-13-enamide
CID 87733981
(Z)-N-butyloctadec-9-enamide
CID 6436496

Frequently Asked Questions

What is the IUPAC name of trihydroxy-[2-[[(Z)-octadec-9-enoyl]amino]ethoxy]phosphanium?
The IUPAC name of trihydroxy-[2-[[(Z)-octadec-9-enoyl]amino]ethoxy]phosphanium (CID 89021568) is trihydroxy-[2-[[(Z)-octadec-9-enoyl]amino]ethoxy]phosphanium.
What is the SMILES notation for trihydroxy-[2-[[(Z)-octadec-9-enoyl]amino]ethoxy]phosphanium?
The canonical SMILES for trihydroxy-[2-[[(Z)-octadec-9-enoyl]amino]ethoxy]phosphanium is CCCCCCCC/C=C\CCCCCCCC(=O)NCCO[P+](O)(O)O.
What is the InChIKey of trihydroxy-[2-[[(Z)-octadec-9-enoyl]amino]ethoxy]phosphanium?
The InChIKey is GVWKNDIRELUQEY-KTKRTIGZSA-O. The full InChI is InChI=1S/C20H40NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)21-18-19-26-27(23,24)25/h9-10,23-25H,2-8,11-19H2,1H3/p+1/b10-9-.
What are the key properties of trihydroxy-[2-[[(Z)-octadec-9-enoyl]amino]ethoxy]phosphanium?
trihydroxy-[2-[[(Z)-octadec-9-enoyl]amino]ethoxy]phosphanium has a molecular weight of 406.52 g/mol, XLogP of 4.81, 19 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy-[2-[[(Z)-octadec-9-enoyl]amino]ethoxy]phosphanium is sourced from PubChem (CID 89021568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).