dimagnesium;bis(2,3-di(butanoyloxy)propyl [(2R)-2,3-di(tetradecanoyloxy)propyl] phosphate);[(2R)-3-[[[(2R)-2,3-di(tetradecanoyloxy)propoxy]-[(2-pentyl-1,3-dioxolan-4-yl)methoxy]phosphoryl]oxymethoxy-[(2-pentyl-1,3-dioxolan-4-yl)methoxy]phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate;bis([(2R)-2,3-di(tetradecanoyloxy)propyl] (2-pentadecyl-1,3-dioxolan-4-yl)methyl phosphate)

C265H502Mg2O64P6 — CID 163706318

IUPACdimagnesium;bis(2,3-di(butanoyloxy)propyl [(2R)-2,3-di(tetradecanoyloxy)propyl] phosphate);[(2R)-3-[[[(2R)-2,3-di(tetradecanoyloxy)propoxy]-[(2-pentyl-1,3-dioxolan-4-yl)methoxy]phosphoryl]oxymethoxy-[(2-pentyl-1,3-dioxolan-4-yl)methoxy]phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate;bis([(2R)-2,3-di(tetradecanoyloxy)propyl] (2-pentadecyl-1,3-dioxolan-4-yl)methyl phosphate)
SMILESCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(OCOP(=O)(OCC1COC(CCCCC)O1)OC[C@@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)OCC1COC(CCCCC)O1)OC(=O)CCCCCCCCCCCCC.CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COC(=O)CCC)OC(=O)CCC)OC(=O)CCCCCCCCCCCCC.CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COC(=O)CCC)OC(=O)CCC)OC(=O)CCCCCCCCCCCCC.CCCCCCCCCCCCCCCC1OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)O1.CCCCCCCCCCCCCCCC1OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)O1.[Mg+2].[Mg+2]
InChIInChI=1S/C81H154O20P2.2C50H97O10P.2C42H79O12P.2Mg/c1-7-13-19-23-27-31-35-39-43-47-53-57-76(82)88-63-72(98-78(84)59-55-49-45-41-37-33-29-25-21-15-9-3)67-92-102(86,94-69-74-65-90-80(100-74)61-51-17-11-5)96-71-97-103(87,95-70-75-66-91-81(101-75)62-52-18-12-6)93-68-73(99-79(85)60-56-50-46-42-38-34-30-26-22-16-10-4)64-89-77(83)58-54-48-44-40-36-32-28-24-20-14-8-2;2*1-4-7-10-13-16-19-22-23-26-29-32-35-38-41-50-56-43-47(60-50)45-58-61(53,54)57-44-46(59-49(52)40-37-34-31-28-25-21-18-15-12-9-6-3)42-55-48(51)39-36-33-30-27-24-20-17-14-11-8-5-2;2*1-5-9-11-13-15-17-19-21-23-25-27-31-40(44)50-34-38(54-42(46)32-28-26-24-22-20-18-16-14-12-10-6-2)36-52-55(47,48)51-35-37(53-41(45)30-8-4)33-49-39(43)29-7-3;;/h72-75,80-81H,7-71H2,1-6H3;2*46-47,50H,4-45H2,1-3H3,(H,53,54);2*37-38H,5-36H2,1-4H3,(H,47,48);;/q;;;;;2*+2/p-4/t72-,73-,74?,75?,80?,81?,102?,103?;2*46-,47?,50?;2*37?,38-;;/m11111../s1
InChIKeyKFJRBRSMCNUXPL-ILMWVPDLSA-J
MW4947.32 g/mol
LogP72.79
Rot. Bonds252

About dimagnesium;bis(2,3-di(butanoyloxy)propyl [(2R)-2,3-di(tetradecanoyloxy)propyl] phosphate);[(2R)-3-[[[(2R)-2,3-di(tetradecanoyloxy)propoxy]-[(2-pentyl-1,3-dioxolan-4-yl)methoxy]phosphoryl]oxymethoxy-[(2-pentyl-1,3-dioxolan-4-yl)methoxy]phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate;bis([(2R)-2,3-di(tetradecanoyloxy)propyl] (2-pentadecyl-1,3-dioxolan-4-yl)methyl phosphate)

dimagnesium;bis(2,3-di(butanoyloxy)propyl [(2R)-2,3-di(tetradecanoyloxy)propyl] phosphate);[(2R)-3-[[[(2R)-2,3-di(tetradecanoyloxy)propoxy]-[(2-pentyl-1,3-dioxolan-4-yl)methoxy]phosphoryl]oxymethoxy-[(2-pentyl-1,3-dioxolan-4-yl)methoxy]phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate;bis([(2R)-2,3-di(tetradecanoyloxy)propyl] (2-pentadecyl-1,3-dioxolan-4-yl)methyl phosphate) (PubChem CID 163706318) has the molecular formula C265H502Mg2O64P6 and a molecular weight of 4947.32 g/mol. Its IUPAC name is dimagnesium;bis(2,3-di(butanoyloxy)propyl [(2R)-2,3-di(tetradecanoyloxy)propyl] phosphate);[(2R)-3-[[[(2R)-2,3-di(tetradecanoyloxy)propoxy]-[(2-pentyl-1,3-dioxolan-4-yl)methoxy]phosphoryl]oxymethoxy-[(2-pentyl-1,3-dioxolan-4-yl)methoxy]phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate;bis([(2R)-2,3-di(tetradecanoyloxy)propyl] (2-pentadecyl-1,3-dioxolan-4-yl)methyl phosphate).

Molecular Properties

Compound Namedimagnesium;bis(2,3-di(butanoyloxy)propyl [(2R)-2,3-di(tetradecanoyloxy)propyl] phosphate);[(2R)-3-[[[(2R)-2,3-di(tetradecanoyloxy)propoxy]-[(2-pentyl-1,3-dioxolan-4-yl)methoxy]phosphoryl]oxymethoxy-[(2-pentyl-1,3-dioxolan-4-yl)methoxy]phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate;bis([(2R)-2,3-di(tetradecanoyloxy)propyl] (2-pentadecyl-1,3-dioxolan-4-yl)methyl phosphate)
PubChem CID163706318
Molecular FormulaC265H502Mg2O64P6
Molecular Weight4947.32 g/mol
Exact Mass4943.42
IUPAC Namedimagnesium;bis(2,3-di(butanoyloxy)propyl [(2R)-2,3-di(tetradecanoyloxy)propyl] phosphate);[(2R)-3-[[[(2R)-2,3-di(tetradecanoyloxy)propoxy]-[(2-pentyl-1,3-dioxolan-4-yl)methoxy]phosphoryl]oxymethoxy-[(2-pentyl-1,3-dioxolan-4-yl)methoxy]phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate;bis([(2R)-2,3-di(tetradecanoyloxy)propyl] (2-pentadecyl-1,3-dioxolan-4-yl)methyl phosphate)
SMILESCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(OCOP(=O)(OCC1COC(CCCCC)O1)OC[C@@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)OCC1COC(CCCCC)O1)OC(=O)CCCCCCCCCCCCC.CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COC(=O)CCC)OC(=O)CCC)OC(=O)CCCCCCCCCCCCC.CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COC(=O)CCC)OC(=O)CCC)OC(=O)CCCCCCCCCCCCC.CCCCCCCCCCCCCCCC1OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)O1.CCCCCCCCCCCCCCCC1OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)O1.[Mg+2].[Mg+2]
InChIInChI=1S/C81H154O20P2.2C50H97O10P.2C42H79O12P.2Mg/c1-7-13-19-23-27-31-35-39-43-47-53-57-76(82)88-63-72(98-78(84)59-55-49-45-41-37-33-29-25-21-15-9-3)67-92-102(86,94-69-74-65-90-80(100-74)61-51-17-11-5)96-71-97-103(87,95-70-75-66-91-81(101-75)62-52-18-12-6)93-68-73(99-79(85)60-56-50-46-42-38-34-30-26-22-16-10-4)64-89-77(83)58-54-48-44-40-36-32-28-24-20-14-8-2;2*1-4-7-10-13-16-19-22-23-26-29-32-35-38-41-50-56-43-47(60-50)45-58-61(53,54)57-44-46(59-49(52)40-37-34-31-28-25-21-18-15-12-9-6-3)42-55-48(51)39-36-33-30-27-24-20-17-14-11-8-5-2;2*1-5-9-11-13-15-17-19-21-23-25-27-31-40(44)50-34-38(54-42(46)32-28-26-24-22-20-18-16-14-12-10-6-2)36-52-55(47,48)51-35-37(53-41(45)30-8-4)33-49-39(43)29-7-3;;/h72-75,80-81H,7-71H2,1-6H3;2*46-47,50H,4-45H2,1-3H3,(H,53,54);2*37-38H,5-36H2,1-4H3,(H,47,48);;/q;;;;;2*+2/p-4/t72-,73-,74?,75?,80?,81?,102?,103?;2*46-,47?,50?;2*37?,38-;;/m11111../s1
InChIKeyKFJRBRSMCNUXPL-ILMWVPDLSA-J
XLogP72.79
TPSA818.52 Ų
H-Bond Donors
H-Bond Acceptors64
Rotatable Bonds252
Heavy Atoms337
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004947.32
LogP ≤ 572.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1064

Analyze dimagnesium;bis(2,3-di(butanoyloxy)propyl [(2R)-2,3-di(tetradecanoyloxy)propyl] phosphate);[(2R)-3-[[[(2R)-2,3-di(tetradecanoyloxy)propoxy]-[(2-pentyl-1,3-dioxolan-4-yl)methoxy]phosphoryl]oxymethoxy-[(2-pentyl-1,3-dioxolan-4-yl)methoxy]phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate;bis([(2R)-2,3-di(tetradecanoyloxy)propyl] (2-pentadecyl-1,3-dioxolan-4-yl)methyl phosphate) 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
[(2R)-3-[hydroxy-[(2-pentyl-1,3-dioxolan-4-yl)methoxy]phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate
CID 150505870
magnesium bis(2,3-di(butanoyloxy)propyl [(2R)-2,3-di(tetradecanoyloxy)propyl] phosphate)
CID 162785566
bis[2,3-di(octanoyloxy)propyl] phosphate
CID 122371168
2,3-bis(3-aminopropanoyloxy)propyl [(2R)-2,3-di(tetradecanoyloxy)propyl] phosphate
CID 167346635
2,3-bis[8-(2-octylcyclopropyl)octanoyloxy]propyl (trimethylazaniumyl)methyl phosphate
CID 164941972
disodium;[3-[[(2R)-2,3-di(tetradecanoyloxy)propoxy]-oxidophosphoryl]oxy-2-hydroxypropyl] [(2R)-2,3-di(tetradecanoyloxy)propyl] phosphate
CID 171920887
sodium butyl [(2R)-2,3-di(hexadecanoyloxy)propyl] phosphate
CID 46891695
2-aminoethyl [(2R)-2,3-di(octadecanoyloxy)propyl] phosphate
CID 101048357
(2-butanoyloxy-3-hexadecanoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
CID 15166674
[(2R)-2,3-di(decanoyloxy)propyl] phosphate
CID 86289480
[(2R)-3-heptadecanoyloxy-2-hexadecanoyloxypropyl] phosphate
CID 86583407

Frequently Asked Questions

What is the IUPAC name of dimagnesium;bis(2,3-di(butanoyloxy)propyl [(2R)-2,3-di(tetradecanoyloxy)propyl] phosphate);[(2R)-3-[[[(2R)-2,3-di(tetradecanoyloxy)propoxy]-[(2-pentyl-1,3-dioxolan-4-yl)methoxy]phosphoryl]oxymethoxy-[(2-pentyl-1,3-dioxolan-4-yl)methoxy]phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate;bis([(2R)-2,3-di(tetradecanoyloxy)propyl] (2-pentadecyl-1,3-dioxolan-4-yl)methyl phosphate)?
The IUPAC name of dimagnesium;bis(2,3-di(butanoyloxy)propyl [(2R)-2,3-di(tetradecanoyloxy)propyl] phosphate);[(2R)-3-[[[(2R)-2,3-di(tetradecanoyloxy)propoxy]-[(2-pentyl-1,3-dioxolan-4-yl)methoxy]phosphoryl]oxymethoxy-[(2-pentyl-1,3-dioxolan-4-yl)methoxy]phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate;bis([(2R)-2,3-di(tetradecanoyloxy)propyl] (2-pentadecyl-1,3-dioxolan-4-yl)methyl phosphate) (CID 163706318) is dimagnesium;bis(2,3-di(butanoyloxy)propyl [(2R)-2,3-di(tetradecanoyloxy)propyl] phosphate);[(2R)-3-[[[(2R)-2,3-di(tetradecanoyloxy)propoxy]-[(2-pentyl-1,3-dioxolan-4-yl)methoxy]phosphoryl]oxymethoxy-[(2-pentyl-1,3-dioxolan-4-yl)methoxy]phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate;bis([(2R)-2,3-di(tetradecanoyloxy)propyl] (2-pentadecyl-1,3-dioxolan-4-yl)methyl phosphate).
What is the SMILES notation for dimagnesium;bis(2,3-di(butanoyloxy)propyl [(2R)-2,3-di(tetradecanoyloxy)propyl] phosphate);[(2R)-3-[[[(2R)-2,3-di(tetradecanoyloxy)propoxy]-[(2-pentyl-1,3-dioxolan-4-yl)methoxy]phosphoryl]oxymethoxy-[(2-pentyl-1,3-dioxolan-4-yl)methoxy]phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate;bis([(2R)-2,3-di(tetradecanoyloxy)propyl] (2-pentadecyl-1,3-dioxolan-4-yl)methyl phosphate)?
The canonical SMILES for dimagnesium;bis(2,3-di(butanoyloxy)propyl [(2R)-2,3-di(tetradecanoyloxy)propyl] phosphate);[(2R)-3-[[[(2R)-2,3-di(tetradecanoyloxy)propoxy]-[(2-pentyl-1,3-dioxolan-4-yl)methoxy]phosphoryl]oxymethoxy-[(2-pentyl-1,3-dioxolan-4-yl)methoxy]phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate;bis([(2R)-2,3-di(tetradecanoyloxy)propyl] (2-pentadecyl-1,3-dioxolan-4-yl)methyl phosphate) is CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(OCOP(=O)(OCC1COC(CCCCC)O1)OC[C@@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)OCC1COC(CCCCC)O1)OC(=O)CCCCCCCCCCCCC.CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COC(=O)CCC)OC(=O)CCC)OC(=O)CCCCCCCCCCCCC.CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COC(=O)CCC)OC(=O)CCC)OC(=O)CCCCCCCCCCCCC.CCCCCCCCCCCCCCCC1OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)O1.CCCCCCCCCCCCCCCC1OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)O1.[Mg+2].[Mg+2].
What is the InChIKey of dimagnesium;bis(2,3-di(butanoyloxy)propyl [(2R)-2,3-di(tetradecanoyloxy)propyl] phosphate);[(2R)-3-[[[(2R)-2,3-di(tetradecanoyloxy)propoxy]-[(2-pentyl-1,3-dioxolan-4-yl)methoxy]phosphoryl]oxymethoxy-[(2-pentyl-1,3-dioxolan-4-yl)methoxy]phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate;bis([(2R)-2,3-di(tetradecanoyloxy)propyl] (2-pentadecyl-1,3-dioxolan-4-yl)methyl phosphate)?
The InChIKey is KFJRBRSMCNUXPL-ILMWVPDLSA-J. The full InChI is InChI=1S/C81H154O20P2.2C50H97O10P.2C42H79O12P.2Mg/c1-7-13-19-23-27-31-35-39-43-47-53-57-76(82)88-63-72(98-78(84)59-55-49-45-41-37-33-29-25-21-15-9-3)67-92-102(86,94-69-74-65-90-80(100-74)61-51-17-11-5)96-71-97-103(87,95-70-75-66-91-81(101-75)62-52-18-12-6)93-68-73(99-79(85)60-56-50-46-42-38-34-30-26-22-16-10-4)64-89-77(83)58-54-48-44-40-36-32-28-24-20-14-8-2;2*1-4-7-10-13-16-19-22-23-26-29-32-35-38-41-50-56-43-47(60-50)45-58-61(53,54)57-44-46(59-49(52)40-37-34-31-28-25-21-18-15-12-9-6-3)42-55-48(51)39-36-33-30-27-24-20-17-14-11-8-5-2;2*1-5-9-11-13-15-17-19-21-23-25-27-31-40(44)50-34-38(54-42(46)32-28-26-24-22-20-18-16-14-12-10-6-2)36-52-55(47,48)51-35-37(53-41(45)30-8-4)33-49-39(43)29-7-3;;/h72-75,80-81H,7-71H2,1-6H3;2*46-47,50H,4-45H2,1-3H3,(H,53,54);2*37-38H,5-36H2,1-4H3,(H,47,48);;/q;;;;;2*+2/p-4/t72-,73-,74?,75?,80?,81?,102?,103?;2*46-,47?,50?;2*37?,38-;;/m11111../s1.
What are the key properties of dimagnesium;bis(2,3-di(butanoyloxy)propyl [(2R)-2,3-di(tetradecanoyloxy)propyl] phosphate);[(2R)-3-[[[(2R)-2,3-di(tetradecanoyloxy)propoxy]-[(2-pentyl-1,3-dioxolan-4-yl)methoxy]phosphoryl]oxymethoxy-[(2-pentyl-1,3-dioxolan-4-yl)methoxy]phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate;bis([(2R)-2,3-di(tetradecanoyloxy)propyl] (2-pentadecyl-1,3-dioxolan-4-yl)methyl phosphate)?
dimagnesium;bis(2,3-di(butanoyloxy)propyl [(2R)-2,3-di(tetradecanoyloxy)propyl] phosphate);[(2R)-3-[[[(2R)-2,3-di(tetradecanoyloxy)propoxy]-[(2-pentyl-1,3-dioxolan-4-yl)methoxy]phosphoryl]oxymethoxy-[(2-pentyl-1,3-dioxolan-4-yl)methoxy]phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate;bis([(2R)-2,3-di(tetradecanoyloxy)propyl] (2-pentadecyl-1,3-dioxolan-4-yl)methyl phosphate) has a molecular weight of 4947.32 g/mol, XLogP of 72.79, 252 rotatable bonds, 0 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for dimagnesium;bis(2,3-di(butanoyloxy)propyl [(2R)-2,3-di(tetradecanoyloxy)propyl] phosphate);[(2R)-3-[[[(2R)-2,3-di(tetradecanoyloxy)propoxy]-[(2-pentyl-1,3-dioxolan-4-yl)methoxy]phosphoryl]oxymethoxy-[(2-pentyl-1,3-dioxolan-4-yl)methoxy]phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate;bis([(2R)-2,3-di(tetradecanoyloxy)propyl] (2-pentadecyl-1,3-dioxolan-4-yl)methyl phosphate) is sourced from PubChem (CID 163706318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).