C270H476O48P6-6 — CID 167691420
[(2R)-2,3-bis[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy]propyl] propyl phosphate;[(2R)-2,3-bis[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy]propyl] propyl phosphate;[(2R)-2,3-bis[[(9Z,12Z)-octadeca-9,12-dienoyl]oxy]propyl] propyl phosphate;[(2R)-2,3-bis[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy]propyl] propyl phosphate;[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl] propyl phosphate;[(2R)-2,3-di(octadecanoyloxy)propyl] propyl phosphate;methane (PubChem CID 167691420) has the molecular formula C270H476O48P6-6 and a molecular weight of 4676.57 g/mol. Its IUPAC name is [(2R)-2,3-bis[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy]propyl] propyl phosphate;[(2R)-2,3-bis[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy]propyl] propyl phosphate;[(2R)-2,3-bis[[(9Z,12Z)-octadeca-9,12-dienoyl]oxy]propyl] propyl phosphate;[(2R)-2,3-bis[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy]propyl] propyl phosphate;[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl] propyl phosphate;[(2R)-2,3-di(octadecanoyloxy)propyl] propyl phosphate;methane.
| Compound Name | [(2R)-2,3-bis[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy]propyl] propyl phosphate;[(2R)-2,3-bis[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy]propyl] propyl phosphate;[(2R)-2,3-bis[[(9Z,12Z)-octadeca-9,12-dienoyl]oxy]propyl] propyl phosphate;[(2R)-2,3-bis[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy]propyl] propyl phosphate;[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl] propyl phosphate;[(2R)-2,3-di(octadecanoyloxy)propyl] propyl phosphate;methane |
|---|---|
| PubChem CID | 167691420 |
| Molecular Formula | C270H476O48P6-6 |
| Molecular Weight | 4676.57 g/mol |
| Exact Mass | 4673.33 |
| IUPAC Name | [(2R)-2,3-bis[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy]propyl] propyl phosphate;[(2R)-2,3-bis[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy]propyl] propyl phosphate;[(2R)-2,3-bis[[(9Z,12Z)-octadeca-9,12-dienoyl]oxy]propyl] propyl phosphate;[(2R)-2,3-bis[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy]propyl] propyl phosphate;[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl] propyl phosphate;[(2R)-2,3-di(octadecanoyloxy)propyl] propyl phosphate;methane |
| SMILES | C.C.C.C.C.C.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)([O-])OCCC)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC.CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCC)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC.CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)([O-])OCCC)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC.CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC.CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC.CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCC)OC(=O)CCCCCCCCCCCCCCCCC |
| InChI | InChI=1S/C50H75O8P.C46H75O8P.C42H83O8P.C42H79O8P.C42H75O8P.C42H71O8P.6CH4/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-49(51)55-46-48(47-57-59(53,54)56-45-6-3)58-50(52)44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2;1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-45(47)51-42-44(43-53-55(49,50)52-41-6-3)54-46(48)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2;4*1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41(43)47-38-40(39-49-51(45,46)48-37-6-3)50-42(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2;;;;;;/h7-10,13-16,19-22,25-28,31-34,37-40,48H,4-6,11-12,17-18,23-24,29-30,35-36,41-47H2,1-3H3,(H,53,54);13-16,19-22,25-28,31-34,44H,4-12,17-18,23-24,29-30,35-43H2,1-3H3,(H,49,50);40H,4-39H2,1-3H3,(H,45,46);19-22,40H,4-18,23-39H2,1-3H3,(H,45,46);13-16,19-22,40H,4-12,17-18,23-39H2,1-3H3,(H,45,46);7-10,13-16,19-22,40H,4-6,11-12,17-18,23-39H2,1-3H3,(H,45,46);6*1H4/p-6/b9-7-,10-8-,15-13-,16-14-,21-19-,22-20-,27-25-,28-26-,33-31-,34-32-,39-37-,40-38-;15-13-,16-14-,21-19-,22-20-,27-25-,28-26-,33-31-,34-32-;;21-19-,22-20-;15-13-,16-14-,21-19-,22-20-;9-7-,10-8-,15-13-,16-14-,21-19-,22-20-;;;;;;/t48-;44-;4*40-;;;;;;/m111111....../s1 |
| InChIKey | WZTZEIYWIGTQLK-ZGLDBDHZSA-H |
| XLogP | 78.59 |
| TPSA | 667.14 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 48 |
| Rotatable Bonds | 226 |
| Heavy Atoms | 324 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4676.57 |
| LogP ≤ 5 | 78.59 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 48 |