[(2R)-2-hydroxy-3-[hydroxy(2-hydroxypropoxy)phosphoryl]oxypropyl] tetradecanoate

C20H41O8P — CID 134310018

IUPAC[(2R)-2-hydroxy-3-[hydroxy(2-hydroxypropoxy)phosphoryl]oxypropyl] tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCC(C)O
InChIInChI=1S/C20H41O8P/c1-3-4-5-6-7-8-9-10-11-12-13-14-20(23)26-16-19(22)17-28-29(24,25)27-15-18(2)21/h18-19,21-22H,3-17H2,1-2H3,(H,24,25)/t18?,19-/m1/s1
InChIKeyVZHAXKWKKATCQC-MUMRKEEXSA-N
MW440.51 g/mol
LogP4.11
Rot. Bonds20

About [(2R)-2-hydroxy-3-[hydroxy(2-hydroxypropoxy)phosphoryl]oxypropyl] tetradecanoate

[(2R)-2-hydroxy-3-[hydroxy(2-hydroxypropoxy)phosphoryl]oxypropyl] tetradecanoate (PubChem CID 134310018) has the molecular formula C20H41O8P and a molecular weight of 440.51 g/mol. Its IUPAC name is [(2R)-2-hydroxy-3-[hydroxy(2-hydroxypropoxy)phosphoryl]oxypropyl] tetradecanoate.

Molecular Properties

Compound Name[(2R)-2-hydroxy-3-[hydroxy(2-hydroxypropoxy)phosphoryl]oxypropyl] tetradecanoate
PubChem CID134310018
Molecular FormulaC20H41O8P
Molecular Weight440.51 g/mol
Exact Mass440.25
IUPAC Name[(2R)-2-hydroxy-3-[hydroxy(2-hydroxypropoxy)phosphoryl]oxypropyl] tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCC(C)O
InChIInChI=1S/C20H41O8P/c1-3-4-5-6-7-8-9-10-11-12-13-14-20(23)26-16-19(22)17-28-29(24,25)27-15-18(2)21/h18-19,21-22H,3-17H2,1-2H3,(H,24,25)/t18?,19-/m1/s1
InChIKeyVZHAXKWKKATCQC-MUMRKEEXSA-N
XLogP4.11
TPSA122.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 54.11
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

[2-hydroxy-3-[hydroxy-[2-hydroxy-3-[hydroxy-(2-hydroxy-3-octadecanoyloxypropoxy)phosphoryl]oxypropoxy]phosphoryl]oxypropyl] tetracosanoate
CID 165275592
azane;[2-hydroxy-3-[hydroxy-(2-hydroxy-3-tetradecanoyloxypropoxy)phosphoryl]oxypropyl] tetradecanoate
CID 131675299
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] tridecanoate
CID 42607482
[(2R)-3-[[(2S)-3-[[(2R)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] decanoate
CID 163196948
[3-[[3-[[3-[(Z)-hexadec-7-enoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] docosanoate
CID 165231164
[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] nonadecanoate
CID 75958075
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] icosanoate
CID 52925131
2-[hydroxy-(2-hydroxy-3-tetradecanoyloxypropoxy)phosphoryl]oxyethyl-trimethylazanium
CID 3045267
2-[(3-heptacosanoyloxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 138138810
2-[hydroxy-(2-hydroxy-3-tridecanoyloxypropoxy)phosphoryl]oxyethyl-trimethylazanium
CID 5313974
2-[hydroxy-[(2R)-2-hydroxy-3-pentadecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
CID 5313977
[3-[[3-[2,3-di(octadecanoyloxy)propoxy-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] octadecanoate
CID 165291369

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-hydroxy-3-[hydroxy(2-hydroxypropoxy)phosphoryl]oxypropyl] tetradecanoate?
The IUPAC name of [(2R)-2-hydroxy-3-[hydroxy(2-hydroxypropoxy)phosphoryl]oxypropyl] tetradecanoate (CID 134310018) is [(2R)-2-hydroxy-3-[hydroxy(2-hydroxypropoxy)phosphoryl]oxypropyl] tetradecanoate.
What is the SMILES notation for [(2R)-2-hydroxy-3-[hydroxy(2-hydroxypropoxy)phosphoryl]oxypropyl] tetradecanoate?
The canonical SMILES for [(2R)-2-hydroxy-3-[hydroxy(2-hydroxypropoxy)phosphoryl]oxypropyl] tetradecanoate is CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCC(C)O.
What is the InChIKey of [(2R)-2-hydroxy-3-[hydroxy(2-hydroxypropoxy)phosphoryl]oxypropyl] tetradecanoate?
The InChIKey is VZHAXKWKKATCQC-MUMRKEEXSA-N. The full InChI is InChI=1S/C20H41O8P/c1-3-4-5-6-7-8-9-10-11-12-13-14-20(23)26-16-19(22)17-28-29(24,25)27-15-18(2)21/h18-19,21-22H,3-17H2,1-2H3,(H,24,25)/t18?,19-/m1/s1.
What are the key properties of [(2R)-2-hydroxy-3-[hydroxy(2-hydroxypropoxy)phosphoryl]oxypropyl] tetradecanoate?
[(2R)-2-hydroxy-3-[hydroxy(2-hydroxypropoxy)phosphoryl]oxypropyl] tetradecanoate has a molecular weight of 440.51 g/mol, XLogP of 4.11, 20 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-hydroxy-3-[hydroxy(2-hydroxypropoxy)phosphoryl]oxypropyl] tetradecanoate is sourced from PubChem (CID 134310018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).