[hydroxy(methoxy)phosphoryl] octadecanoate

C19H39O5P — CID 172713209

IUPAC[hydroxy(methoxy)phosphoryl] octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OP(=O)(O)OC
InChIInChI=1S/C19H39O5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)24-25(21,22)23-2/h3-18H2,1-2H3,(H,21,22)
InChIKeyBAMYNCSCWAEEPT-UHFFFAOYSA-N
MW378.49 g/mol
LogP6.54
Rot. Bonds18

About [hydroxy(methoxy)phosphoryl] octadecanoate

[hydroxy(methoxy)phosphoryl] octadecanoate (PubChem CID 172713209) has the molecular formula C19H39O5P and a molecular weight of 378.49 g/mol. Its IUPAC name is [hydroxy(methoxy)phosphoryl] octadecanoate.

Molecular Properties

Compound Name[hydroxy(methoxy)phosphoryl] octadecanoate
PubChem CID172713209
Molecular FormulaC19H39O5P
Molecular Weight378.49 g/mol
Exact Mass378.25
IUPAC Name[hydroxy(methoxy)phosphoryl] octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OP(=O)(O)OC
InChIInChI=1S/C19H39O5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)24-25(21,22)23-2/h3-18H2,1-2H3,(H,21,22)
InChIKeyBAMYNCSCWAEEPT-UHFFFAOYSA-N
XLogP6.54
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.49
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

[hydroxy(octadecanoyloxy)phosphoryl] octadecanoate
CID 50913067
[hydroxy(phosphonooxy)phosphoryl] octadecanoate
CID 175419866
[[(Z)-hexadec-9-enoyl]oxy-hydroxyphosphoryl] (Z)-hexadec-9-enoate
CID 10057255
2-[hydroxy(octadecanoyloxy)phosphoryl]oxyacetic acid
CID 174800195
di(octanoyloxy)phosphoryl octanoate
CID 57032543
fluoro(icosanoyloxy)phosphinic acid
CID 175870939
potassium;hydride;phosphono decanoate
CID 173362975
trisodium;hydride;phosphono octadecanoate
CID 175375815
sodium methyl octadecanoyl phosphate
CID 172713208
ethene;phosphono octadecanoate;hydrate
CID 175287151
sodium;hydride;[hydroxy(methoxy)phosphinothioyl] dodecanoate
CID 174913786
[hydroxy(phenoxy)phosphoryl] octadecanoate
CID 174873653

Frequently Asked Questions

What is the IUPAC name of [hydroxy(methoxy)phosphoryl] octadecanoate?
The IUPAC name of [hydroxy(methoxy)phosphoryl] octadecanoate (CID 172713209) is [hydroxy(methoxy)phosphoryl] octadecanoate.
What is the SMILES notation for [hydroxy(methoxy)phosphoryl] octadecanoate?
The canonical SMILES for [hydroxy(methoxy)phosphoryl] octadecanoate is CCCCCCCCCCCCCCCCCC(=O)OP(=O)(O)OC.
What is the InChIKey of [hydroxy(methoxy)phosphoryl] octadecanoate?
The InChIKey is BAMYNCSCWAEEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39O5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)24-25(21,22)23-2/h3-18H2,1-2H3,(H,21,22).
What are the key properties of [hydroxy(methoxy)phosphoryl] octadecanoate?
[hydroxy(methoxy)phosphoryl] octadecanoate has a molecular weight of 378.49 g/mol, XLogP of 6.54, 18 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy(methoxy)phosphoryl] octadecanoate is sourced from PubChem (CID 172713209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).