C154H294N6O74P8 — CID 165036416
2-[5-acetamido-6-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxyethoxy-tert-butylphosphinic acid;[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-3-yl]oxy-propan-2-ylphosphinic acid;[5-amino-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy-tert-butylphosphinic acid;2-[[5-amino-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]ethoxy-tert-butylphosphinic acid;2-[5-amino-4-hydroxy-2-(hydroxymethyl)-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-3-yl]oxyethoxy-propan-2-ylphosphinic acid;[5-amino-4-hydroxy-2-(hydroxymethyl)-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-3-yl]oxy-propan-2-ylphosphinic acid;tert-butyl-[2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-3-yl]oxyethoxy]phosphinic acid;tert-butyl-[4,5-dihydroxy-2-(hydroxymethyl)-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-3-yl]oxyphosphinic acid (PubChem CID 165036416) has the molecular formula C154H294N6O74P8 and a molecular weight of 3661.81 g/mol. Its IUPAC name is 2-[5-acetamido-6-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxyethoxy-tert-butylphosphinic acid;[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-3-yl]oxy-propan-2-ylphosphinic acid;[5-amino-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy-tert-butylphosphinic acid;2-[[5-amino-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]ethoxy-tert-butylphosphinic acid;2-[5-amino-4-hydroxy-2-(hydroxymethyl)-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-3-yl]oxyethoxy-propan-2-ylphosphinic acid;[5-amino-4-hydroxy-2-(hydroxymethyl)-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-3-yl]oxy-propan-2-ylphosphinic acid;tert-butyl-[2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-3-yl]oxyethoxy]phosphinic acid;tert-butyl-[4,5-dihydroxy-2-(hydroxymethyl)-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-3-yl]oxyphosphinic acid.
| Compound Name | 2-[5-acetamido-6-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxyethoxy-tert-butylphosphinic acid;[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-3-yl]oxy-propan-2-ylphosphinic acid;[5-amino-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy-tert-butylphosphinic acid;2-[[5-amino-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]ethoxy-tert-butylphosphinic acid;2-[5-amino-4-hydroxy-2-(hydroxymethyl)-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-3-yl]oxyethoxy-propan-2-ylphosphinic acid;[5-amino-4-hydroxy-2-(hydroxymethyl)-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-3-yl]oxy-propan-2-ylphosphinic acid;tert-butyl-[2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-3-yl]oxyethoxy]phosphinic acid;tert-butyl-[4,5-dihydroxy-2-(hydroxymethyl)-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-3-yl]oxyphosphinic acid |
|---|---|
| PubChem CID | 165036416 |
| Molecular Formula | C154H294N6O74P8 |
| Molecular Weight | 3661.81 g/mol |
| Exact Mass | 3659.73 |
| IUPAC Name | 2-[5-acetamido-6-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxyethoxy-tert-butylphosphinic acid;[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-3-yl]oxy-propan-2-ylphosphinic acid;[5-amino-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy-tert-butylphosphinic acid;2-[[5-amino-3,4-dihydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-2-yl]methoxy]ethoxy-tert-butylphosphinic acid;2-[5-amino-4-hydroxy-2-(hydroxymethyl)-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-3-yl]oxyethoxy-propan-2-ylphosphinic acid;[5-amino-4-hydroxy-2-(hydroxymethyl)-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-3-yl]oxy-propan-2-ylphosphinic acid;tert-butyl-[2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-3-yl]oxyethoxy]phosphinic acid;tert-butyl-[4,5-dihydroxy-2-(hydroxymethyl)-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]oxan-3-yl]oxyphosphinic acid |
| SMILES | CC(=O)NC1C(OCCOC(C)(C)C)OC(CO)C(OP(=O)(O)C(C)C)C1O.CC(C)(C)OCCOC1OC(CO)C(OCCOP(=O)(O)C(C)(C)C)C(O)C1O.CC(C)(C)OCCOC1OC(CO)C(OP(=O)(O)C(C)(C)C)C(O)C1O.CC(C)(C)OCCOC1OC(COCCOP(=O)(O)C(C)(C)C)C(O)C(O)C1N.CC(C)(C)OCCOC1OC(COP(=O)(O)C(C)(C)C)C(O)C(O)C1N.CC(C)P(=O)(O)OC1C(CO)OC(OCCOC(C)(C)C)C(N)C1O.CC(C)P(=O)(O)OCCOC1C(CO)OC(OCCOC(C)(C)C)C(N)C1O.COc1ccc(C(OCCOC2OC(CO)C(OCCOP(=O)(O)C(C)(C)C)C(O)C2NC(C)=O)(c2ccccc2)c2ccc(OC)cc2)cc1 |
| InChI | InChI=1S/C37H50NO12P.C18H38NO9P.C18H37O10P.C17H34NO9P.C17H36NO9P.C16H34NO8P.C16H33O9P.C15H32NO8P/c1-25(40)38-32-33(41)34(46-21-23-49-51(42,43)36(2,3)4)31(24-39)50-35(32)47-20-22-48-37(26-10-8-7-9-11-26,27-12-16-29(44-5)17-13-27)28-14-18-30(45-6)19-15-28;1-17(2,3)26-9-8-25-16-13(19)15(21)14(20)12(28-16)11-24-7-10-27-29(22,23)18(4,5)6;1-17(2,3)26-9-7-25-16-14(21)13(20)15(12(11-19)28-16)24-8-10-27-29(22,23)18(4,5)6;1-10(2)28(22,23)27-15-12(9-19)26-16(13(14(15)21)18-11(3)20)24-7-8-25-17(4,5)6;1-11(2)28(21,22)26-9-7-23-15-12(10-19)27-16(13(18)14(15)20)24-6-8-25-17(3,4)5;1-15(2,3)23-8-7-22-14-11(17)13(19)12(18)10(25-14)9-24-26(20,21)16(4,5)6;1-15(2,3)23-8-7-22-14-12(19)11(18)13(10(9-17)24-14)25-26(20,21)16(4,5)6;1-9(2)25(19,20)24-13-10(8-17)23-14(11(16)12(13)18)21-6-7-22-15(3,4)5/h7-19,31-35,39,41H,20-24H2,1-6H3,(H,38,40)(H,42,43);12-16,20-21H,7-11,19H2,1-6H3,(H,22,23);12-16,19-21H,7-11H2,1-6H3,(H,22,23);10,12-16,19,21H,7-9H2,1-6H3,(H,18,20)(H,22,23);11-16,19-20H,6-10,18H2,1-5H3,(H,21,22);10-14,18-19H,7-9,17H2,1-6H3,(H,20,21);10-14,17-19H,7-9H2,1-6H3,(H,20,21);9-14,17-18H,6-8,16H2,1-5H3,(H,19,20) |
| InChIKey | NLCMQUUCHFUECU-UHFFFAOYSA-N |
| XLogP | 7.27 |
| TPSA | 1175.56 Ų |
| H-Bond Donors | 32 |
| H-Bond Acceptors | 70 |
| Rotatable Bonds | 79 |
| Heavy Atoms | 242 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3661.81 |
| LogP ≤ 5 | 7.27 |
| H-Bond Donors ≤ 5 | 32 |
| H-Bond Acceptors ≤ 10 | 70 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
|---|