[2-hydroxy-3-[hydroxy-[2-(pentanoylamino)ethoxy]phosphoryl]oxypropyl] hexadecanoate

C26H52NO8P — CID 165329267

IUPAC[2-hydroxy-3-[hydroxy-[2-(pentanoylamino)ethoxy]phosphoryl]oxypropyl] hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)OCCNC(=O)CCCC
InChIInChI=1S/C26H52NO8P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-26(30)33-22-24(28)23-35-36(31,32)34-21-20-27-25(29)18-6-4-2/h24,28H,3-23H2,1-2H3,(H,27,29)(H,31,32)
InChIKeyYLWNQPOFCVPZRK-UHFFFAOYSA-N
MW537.68 g/mol
LogP5.81
Rot. Bonds26

About [2-hydroxy-3-[hydroxy-[2-(pentanoylamino)ethoxy]phosphoryl]oxypropyl] hexadecanoate

[2-hydroxy-3-[hydroxy-[2-(pentanoylamino)ethoxy]phosphoryl]oxypropyl] hexadecanoate (PubChem CID 165329267) has the molecular formula C26H52NO8P and a molecular weight of 537.68 g/mol. Its IUPAC name is [2-hydroxy-3-[hydroxy-[2-(pentanoylamino)ethoxy]phosphoryl]oxypropyl] hexadecanoate.

Molecular Properties

Compound Name[2-hydroxy-3-[hydroxy-[2-(pentanoylamino)ethoxy]phosphoryl]oxypropyl] hexadecanoate
PubChem CID165329267
Molecular FormulaC26H52NO8P
Molecular Weight537.68 g/mol
Exact Mass537.34
IUPAC Name[2-hydroxy-3-[hydroxy-[2-(pentanoylamino)ethoxy]phosphoryl]oxypropyl] hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)OCCNC(=O)CCCC
InChIInChI=1S/C26H52NO8P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-26(30)33-22-24(28)23-35-36(31,32)34-21-20-27-25(29)18-6-4-2/h24,28H,3-23H2,1-2H3,(H,27,29)(H,31,32)
InChIKeyYLWNQPOFCVPZRK-UHFFFAOYSA-N
XLogP5.81
TPSA131.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds26
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.68
LogP ≤ 55.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [2-hydroxy-3-[hydroxy-[2-(pentanoylamino)ethoxy]phosphoryl]oxypropyl] hexadecanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-hydroxy-3-[hydroxy-[2-(pentanoylamino)ethoxy]phosphoryl]oxypropyl] decanoate
CID 165193978
[3-[2-(heptadecanoylamino)ethoxy-hydroxyphosphoryl]oxy-2-hydroxypropyl] undecanoate
CID 165227474
[2-hydroxy-3-[hydroxy-[2-(nonadecanoylamino)ethoxy]phosphoryl]oxypropyl] henicosanoate
CID 165320749
[3-[2-(hexadecanoylamino)ethoxy-hydroxyphosphoryl]oxy-2-hydroxypropyl] undecanoate
CID 165254954
[2-hydroxy-3-[hydroxy-[2-(undecanoylamino)ethoxy]phosphoryl]oxypropyl] tridecanoate
CID 165331925
[3-[2-(hexacosanoylamino)ethoxy-hydroxyphosphoryl]oxy-2-hydroxypropyl] hexanoate
CID 165274703
[3-[2-(hexacosanoylamino)ethoxy-hydroxyphosphoryl]oxy-2-hydroxypropyl] decanoate
CID 165290668
[3-[2-(henicosanoylamino)ethoxy-hydroxyphosphoryl]oxy-2-hydroxypropyl] hexanoate
CID 165275301
[2-hydroxy-3-[hydroxy-[2-(tetradecanoylamino)ethoxy]phosphoryl]oxypropyl] nonadecanoate
CID 165319622
[3-[2-(dodecanoylamino)ethoxy-hydroxyphosphoryl]oxy-2-hydroxypropyl] octanoate
CID 165335080
[2-hydroxy-3-[hydroxy-[2-(nonanoylamino)ethoxy]phosphoryl]oxypropyl] tricosanoate
CID 165320693
[3-[2-(heptadecanoylamino)ethoxy-hydroxyphosphoryl]oxy-2-hydroxypropyl] heptacosanoate
CID 165215495

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-[hydroxy-[2-(pentanoylamino)ethoxy]phosphoryl]oxypropyl] hexadecanoate?
The IUPAC name of [2-hydroxy-3-[hydroxy-[2-(pentanoylamino)ethoxy]phosphoryl]oxypropyl] hexadecanoate (CID 165329267) is [2-hydroxy-3-[hydroxy-[2-(pentanoylamino)ethoxy]phosphoryl]oxypropyl] hexadecanoate.
What is the SMILES notation for [2-hydroxy-3-[hydroxy-[2-(pentanoylamino)ethoxy]phosphoryl]oxypropyl] hexadecanoate?
The canonical SMILES for [2-hydroxy-3-[hydroxy-[2-(pentanoylamino)ethoxy]phosphoryl]oxypropyl] hexadecanoate is CCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)OCCNC(=O)CCCC.
What is the InChIKey of [2-hydroxy-3-[hydroxy-[2-(pentanoylamino)ethoxy]phosphoryl]oxypropyl] hexadecanoate?
The InChIKey is YLWNQPOFCVPZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52NO8P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-26(30)33-22-24(28)23-35-36(31,32)34-21-20-27-25(29)18-6-4-2/h24,28H,3-23H2,1-2H3,(H,27,29)(H,31,32).
What are the key properties of [2-hydroxy-3-[hydroxy-[2-(pentanoylamino)ethoxy]phosphoryl]oxypropyl] hexadecanoate?
[2-hydroxy-3-[hydroxy-[2-(pentanoylamino)ethoxy]phosphoryl]oxypropyl] hexadecanoate has a molecular weight of 537.68 g/mol, XLogP of 5.81, 26 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-[hydroxy-[2-(pentanoylamino)ethoxy]phosphoryl]oxypropyl] hexadecanoate is sourced from PubChem (CID 165329267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).