[(2R)-3-[hydroxy-[(2-pentyl-1,3-dioxolan-4-yl)methoxy]phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate

C40H77O10P — CID 150505870

IUPAC[(2R)-3-[hydroxy-[(2-pentyl-1,3-dioxolan-4-yl)methoxy]phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC1COC(CCCCC)O1)OC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C40H77O10P/c1-4-7-10-12-14-16-18-20-22-24-27-29-38(41)45-32-36(49-39(42)30-28-25-23-21-19-17-15-13-11-8-5-2)34-47-51(43,44)48-35-37-33-46-40(50-37)31-26-9-6-3/h36-37,40H,4-35H2,1-3H3,(H,43,44)/t36-,37?,40?/m1/s1
InChIKeyHYUKHRYZLIVPES-GDASWYQBSA-N
MW749.02 g/mol
LogP11.30
Rot. Bonds37

About [(2R)-3-[hydroxy-[(2-pentyl-1,3-dioxolan-4-yl)methoxy]phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate

[(2R)-3-[hydroxy-[(2-pentyl-1,3-dioxolan-4-yl)methoxy]phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate (PubChem CID 150505870) has the molecular formula C40H77O10P and a molecular weight of 749.02 g/mol. Its IUPAC name is [(2R)-3-[hydroxy-[(2-pentyl-1,3-dioxolan-4-yl)methoxy]phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate.

Molecular Properties

Compound Name[(2R)-3-[hydroxy-[(2-pentyl-1,3-dioxolan-4-yl)methoxy]phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate
PubChem CID150505870
Molecular FormulaC40H77O10P
Molecular Weight749.02 g/mol
Exact Mass748.53
IUPAC Name[(2R)-3-[hydroxy-[(2-pentyl-1,3-dioxolan-4-yl)methoxy]phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC1COC(CCCCC)O1)OC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C40H77O10P/c1-4-7-10-12-14-16-18-20-22-24-27-29-38(41)45-32-36(49-39(42)30-28-25-23-21-19-17-15-13-11-8-5-2)34-47-51(43,44)48-35-37-33-46-40(50-37)31-26-9-6-3/h36-37,40H,4-35H2,1-3H3,(H,43,44)/t36-,37?,40?/m1/s1
InChIKeyHYUKHRYZLIVPES-GDASWYQBSA-N
XLogP11.30
TPSA126.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds37
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.02
LogP ≤ 511.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [(2R)-3-[hydroxy-[(2-pentyl-1,3-dioxolan-4-yl)methoxy]phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate with MolForge

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Related Compounds

magnesium bis([(2R)-2,3-di(tetradecanoyloxy)propyl] (2-pentadecyl-1,3-dioxolan-4-yl)methyl phosphate)
CID 162785565
azane;[(2R)-3-[[(2R)-2,3-di(hexadecanoyloxy)propoxy]-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate
CID 131871038
[1-[ethoxy(hydroxy)phosphoryl]oxy-3-pentadecanoyloxypropan-2-yl] tricosanoate
CID 138142190
[(2R)-3-[ethoxy(hydroxy)phosphoryl]oxy-2-octanoyloxypropyl] decanoate
CID 167530367
[1-[ethoxy(hydroxy)phosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] tetracosanoate
CID 138266550
[3-[ethoxy(hydroxy)phosphoryl]oxy-2-pentadecanoyloxypropyl] pentadecanoate
CID 138164766
[1-[ethoxy(hydroxy)phosphoryl]oxy-3-heptadecanoyloxypropan-2-yl] icosanoate
CID 138192487
[1-dodecanoyloxy-3-[ethoxy(hydroxy)phosphoryl]oxypropan-2-yl] octadecanoate
CID 138158095
[1-[ethoxy(hydroxy)phosphoryl]oxy-3-heptadecanoyloxypropan-2-yl] nonadecanoate
CID 138197064
[1-[ethoxy(hydroxy)phosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] icosanoate
CID 138220907
[(2R)-1-[ethoxy(hydroxy)phosphoryl]oxy-3-heptanoyloxypropan-2-yl] octanoate
CID 155804232
[1-[ethoxy(hydroxy)phosphoryl]oxy-3-nonadecanoyloxypropan-2-yl] pentacosanoate
CID 138164724

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-[hydroxy-[(2-pentyl-1,3-dioxolan-4-yl)methoxy]phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate?
The IUPAC name of [(2R)-3-[hydroxy-[(2-pentyl-1,3-dioxolan-4-yl)methoxy]phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate (CID 150505870) is [(2R)-3-[hydroxy-[(2-pentyl-1,3-dioxolan-4-yl)methoxy]phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate.
What is the SMILES notation for [(2R)-3-[hydroxy-[(2-pentyl-1,3-dioxolan-4-yl)methoxy]phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate?
The canonical SMILES for [(2R)-3-[hydroxy-[(2-pentyl-1,3-dioxolan-4-yl)methoxy]phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate is CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC1COC(CCCCC)O1)OC(=O)CCCCCCCCCCCCC.
What is the InChIKey of [(2R)-3-[hydroxy-[(2-pentyl-1,3-dioxolan-4-yl)methoxy]phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate?
The InChIKey is HYUKHRYZLIVPES-GDASWYQBSA-N. The full InChI is InChI=1S/C40H77O10P/c1-4-7-10-12-14-16-18-20-22-24-27-29-38(41)45-32-36(49-39(42)30-28-25-23-21-19-17-15-13-11-8-5-2)34-47-51(43,44)48-35-37-33-46-40(50-37)31-26-9-6-3/h36-37,40H,4-35H2,1-3H3,(H,43,44)/t36-,37?,40?/m1/s1.
What are the key properties of [(2R)-3-[hydroxy-[(2-pentyl-1,3-dioxolan-4-yl)methoxy]phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate?
[(2R)-3-[hydroxy-[(2-pentyl-1,3-dioxolan-4-yl)methoxy]phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate has a molecular weight of 749.02 g/mol, XLogP of 11.30, 37 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-[hydroxy-[(2-pentyl-1,3-dioxolan-4-yl)methoxy]phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate is sourced from PubChem (CID 150505870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).