2-[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl]tetradecanoic acid

C19H40NO7P — CID 175196043

IUPAC2-[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl]tetradecanoic acid
SMILESCCCCCCCCCCCCC(CC(O)COP(=O)(O)OCCN)C(=O)O
InChIInChI=1S/C19H40NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-17(19(22)23)15-18(21)16-27-28(24,25)26-14-13-20/h17-18,21H,2-16,20H2,1H3,(H,22,23)(H,24,25)
InChIKeyWQGVIGQTJDSCLB-UHFFFAOYSA-N
MW425.50 g/mol
LogP3.84
Rot. Bonds20

About 2-[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl]tetradecanoic acid

2-[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl]tetradecanoic acid (PubChem CID 175196043) has the molecular formula C19H40NO7P and a molecular weight of 425.50 g/mol. Its IUPAC name is 2-[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl]tetradecanoic acid.

Molecular Properties

Compound Name2-[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl]tetradecanoic acid
PubChem CID175196043
Molecular FormulaC19H40NO7P
Molecular Weight425.50 g/mol
Exact Mass425.25
IUPAC Name2-[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl]tetradecanoic acid
SMILESCCCCCCCCCCCCC(CC(O)COP(=O)(O)OCCN)C(=O)O
InChIInChI=1S/C19H40NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-17(19(22)23)15-18(21)16-27-28(24,25)26-14-13-20/h17-18,21H,2-16,20H2,1H3,(H,22,23)(H,24,25)
InChIKeyWQGVIGQTJDSCLB-UHFFFAOYSA-N
XLogP3.84
TPSA139.31 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 53.84
H-Bond Donors ≤ 54
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-aminoethyl [(2R)-3-dodecoxy-2-hydroxypropyl] hydrogen phosphate
CID 163410356
[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] nonadecanoate
CID 75958075
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] icosanoate
CID 52925131
[(2S)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hexadecoxypropyl] 2-tetradecylhexadecanoate
CID 100920722
[(2S)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] pentanoate
CID 166174515
2-aminoethyl [3-hydroxy-2-(3-hydroxyheptadecanoylamino)nonadecyl] hydrogen phosphate
CID 165269281
2-aminoethyl [3-hydroxy-2-(3-hydroxyhenicosanoylamino)tridecyl] hydrogen phosphate
CID 165215622
2-aminoethyl [3-hydroxy-2-(3-hydroxyhexacosanoylamino)octadecyl] hydrogen phosphate
CID 165286069
2-aminoethyl [3-hydroxy-2-(3-hydroxyicosanoylamino)hexadecyl] hydrogen phosphate
CID 165246306
2-aminoethyl [3-hydroxy-2-(3-hydroxyhexadecanoylamino)tricosyl] hydrogen phosphate
CID 165261630
2-aminoethyl [3-hydroxy-2-(3-hydroxydodecanoylamino)hexadecyl] hydrogen phosphate
CID 165277208
2-aminoethyl [3-hydroxy-2-(3-hydroxyhexadecanoylamino)dodecyl] hydrogen phosphate
CID 165291117

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl]tetradecanoic acid?
The IUPAC name of 2-[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl]tetradecanoic acid (CID 175196043) is 2-[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl]tetradecanoic acid.
What is the SMILES notation for 2-[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl]tetradecanoic acid?
The canonical SMILES for 2-[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl]tetradecanoic acid is CCCCCCCCCCCCC(CC(O)COP(=O)(O)OCCN)C(=O)O.
What is the InChIKey of 2-[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl]tetradecanoic acid?
The InChIKey is WQGVIGQTJDSCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-17(19(22)23)15-18(21)16-27-28(24,25)26-14-13-20/h17-18,21H,2-16,20H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl]tetradecanoic acid?
2-[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl]tetradecanoic acid has a molecular weight of 425.50 g/mol, XLogP of 3.84, 20 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl]tetradecanoic acid is sourced from PubChem (CID 175196043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).