[2-hydroxy-3-[hydroxy-[2-(propanoylamino)ethoxy]phosphoryl]oxypropyl] nonanoate

C17H34NO8P — CID 165185078

IUPAC[2-hydroxy-3-[hydroxy-[2-(propanoylamino)ethoxy]phosphoryl]oxypropyl] nonanoate
SMILESCCCCCCCCC(=O)OCC(O)COP(=O)(O)OCCNC(=O)CC
InChIInChI=1S/C17H34NO8P/c1-3-5-6-7-8-9-10-17(21)24-13-15(19)14-26-27(22,23)25-12-11-18-16(20)4-2/h15,19H,3-14H2,1-2H3,(H,18,20)(H,22,23)
InChIKeyARSLKKMYZPKAAU-UHFFFAOYSA-N
MW411.43 g/mol
LogP2.30
Rot. Bonds17

About [2-hydroxy-3-[hydroxy-[2-(propanoylamino)ethoxy]phosphoryl]oxypropyl] nonanoate

[2-hydroxy-3-[hydroxy-[2-(propanoylamino)ethoxy]phosphoryl]oxypropyl] nonanoate (PubChem CID 165185078) has the molecular formula C17H34NO8P and a molecular weight of 411.43 g/mol. Its IUPAC name is [2-hydroxy-3-[hydroxy-[2-(propanoylamino)ethoxy]phosphoryl]oxypropyl] nonanoate.

Molecular Properties

Compound Name[2-hydroxy-3-[hydroxy-[2-(propanoylamino)ethoxy]phosphoryl]oxypropyl] nonanoate
PubChem CID165185078
Molecular FormulaC17H34NO8P
Molecular Weight411.43 g/mol
Exact Mass411.20
IUPAC Name[2-hydroxy-3-[hydroxy-[2-(propanoylamino)ethoxy]phosphoryl]oxypropyl] nonanoate
SMILESCCCCCCCCC(=O)OCC(O)COP(=O)(O)OCCNC(=O)CC
InChIInChI=1S/C17H34NO8P/c1-3-5-6-7-8-9-10-17(21)24-13-15(19)14-26-27(22,23)25-12-11-18-16(20)4-2/h15,19H,3-14H2,1-2H3,(H,18,20)(H,22,23)
InChIKeyARSLKKMYZPKAAU-UHFFFAOYSA-N
XLogP2.30
TPSA131.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 52.30
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'}

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Related Compounds

[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
[3-[2-(hexanoylamino)ethoxy-hydroxyphosphoryl]oxy-2-hydroxypropyl] octadecanoate
CID 165305531

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-[hydroxy-[2-(propanoylamino)ethoxy]phosphoryl]oxypropyl] nonanoate?
The IUPAC name of [2-hydroxy-3-[hydroxy-[2-(propanoylamino)ethoxy]phosphoryl]oxypropyl] nonanoate (CID 165185078) is [2-hydroxy-3-[hydroxy-[2-(propanoylamino)ethoxy]phosphoryl]oxypropyl] nonanoate.
What is the SMILES notation for [2-hydroxy-3-[hydroxy-[2-(propanoylamino)ethoxy]phosphoryl]oxypropyl] nonanoate?
The canonical SMILES for [2-hydroxy-3-[hydroxy-[2-(propanoylamino)ethoxy]phosphoryl]oxypropyl] nonanoate is CCCCCCCCC(=O)OCC(O)COP(=O)(O)OCCNC(=O)CC.
What is the InChIKey of [2-hydroxy-3-[hydroxy-[2-(propanoylamino)ethoxy]phosphoryl]oxypropyl] nonanoate?
The InChIKey is ARSLKKMYZPKAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34NO8P/c1-3-5-6-7-8-9-10-17(21)24-13-15(19)14-26-27(22,23)25-12-11-18-16(20)4-2/h15,19H,3-14H2,1-2H3,(H,18,20)(H,22,23).
What are the key properties of [2-hydroxy-3-[hydroxy-[2-(propanoylamino)ethoxy]phosphoryl]oxypropyl] nonanoate?
[2-hydroxy-3-[hydroxy-[2-(propanoylamino)ethoxy]phosphoryl]oxypropyl] nonanoate has a molecular weight of 411.43 g/mol, XLogP of 2.30, 17 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-(propanoylamino)ethoxy]phosphoryl]oxypropyl] nonanoate is sourced from PubChem (CID 165185078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).