2-[2-aminoethoxy(hydroxy)phosphoryl]oxyethyl icosanoate

C24H50NO6P — CID 164513427

IUPAC2-[2-aminoethoxy(hydroxy)phosphoryl]oxyethyl icosanoate
SMILESCCCCCCCCCCCCCCCCCCCC(=O)OCCOP(=O)(O)OCCN
InChIInChI=1S/C24H50NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(26)29-22-23-31-32(27,28)30-21-20-25/h2-23,25H2,1H3,(H,27,28)
InChIKeyUOVNWBKSOKBCBC-UHFFFAOYSA-N
MW479.64 g/mol
LogP6.66
Rot. Bonds25

About 2-[2-aminoethoxy(hydroxy)phosphoryl]oxyethyl icosanoate

2-[2-aminoethoxy(hydroxy)phosphoryl]oxyethyl icosanoate (PubChem CID 164513427) has the molecular formula C24H50NO6P and a molecular weight of 479.64 g/mol. Its IUPAC name is 2-[2-aminoethoxy(hydroxy)phosphoryl]oxyethyl icosanoate.

Molecular Properties

Compound Name2-[2-aminoethoxy(hydroxy)phosphoryl]oxyethyl icosanoate
PubChem CID164513427
Molecular FormulaC24H50NO6P
Molecular Weight479.64 g/mol
Exact Mass479.34
IUPAC Name2-[2-aminoethoxy(hydroxy)phosphoryl]oxyethyl icosanoate
SMILESCCCCCCCCCCCCCCCCCCCC(=O)OCCOP(=O)(O)OCCN
InChIInChI=1S/C24H50NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(26)29-22-23-31-32(27,28)30-21-20-25/h2-23,25H2,1H3,(H,27,28)
InChIKeyUOVNWBKSOKBCBC-UHFFFAOYSA-N
XLogP6.66
TPSA108.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds25
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.64
LogP ≤ 56.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-[hydroxy(2-icosanoyloxyethoxy)phosphoryl]oxyethyl-trimethylazanium
CID 18436577
2-[2-hexadecanoyloxyethoxy(hydroxy)phosphoryl]oxyethyl-trimethylazanium
CID 18436579
2-phosphonooxyethyl dodecanoate
CID 139925175
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] icosanoate
CID 52925131
[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] nonadecanoate
CID 75958075
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-methylpropyl] octadecanoate
CID 126575031
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-octadecanoyloxypropyl] pentacosanoate
CID 134732824
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hexanoyloxypropyl] dodecanoate
CID 163184852
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-tetracosanoyloxypropyl] pentacosanoate
CID 134762682
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-nonanoyloxypropyl] dodecanoate
CID 164890063
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-tetradecanoyloxypropyl] tricosanoate
CID 134784798
[(2S)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-undecanoyloxypropyl] hexacosanoate
CID 134762256

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethoxy(hydroxy)phosphoryl]oxyethyl icosanoate?
The IUPAC name of 2-[2-aminoethoxy(hydroxy)phosphoryl]oxyethyl icosanoate (CID 164513427) is 2-[2-aminoethoxy(hydroxy)phosphoryl]oxyethyl icosanoate.
What is the SMILES notation for 2-[2-aminoethoxy(hydroxy)phosphoryl]oxyethyl icosanoate?
The canonical SMILES for 2-[2-aminoethoxy(hydroxy)phosphoryl]oxyethyl icosanoate is CCCCCCCCCCCCCCCCCCCC(=O)OCCOP(=O)(O)OCCN.
What is the InChIKey of 2-[2-aminoethoxy(hydroxy)phosphoryl]oxyethyl icosanoate?
The InChIKey is UOVNWBKSOKBCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(26)29-22-23-31-32(27,28)30-21-20-25/h2-23,25H2,1H3,(H,27,28).
What are the key properties of 2-[2-aminoethoxy(hydroxy)phosphoryl]oxyethyl icosanoate?
2-[2-aminoethoxy(hydroxy)phosphoryl]oxyethyl icosanoate has a molecular weight of 479.64 g/mol, XLogP of 6.66, 25 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethoxy(hydroxy)phosphoryl]oxyethyl icosanoate is sourced from PubChem (CID 164513427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).