C202H311BN16O73U — CID 163985967
CID 163985967 (PubChem CID 163985967) has the molecular formula C202H311BN16O73U and a molecular weight of 4382.60 g/mol.
| Compound Name | CID 163985967 |
|---|---|
| PubChem CID | 163985967 |
| Molecular Formula | C202H311BN16O73U |
| Molecular Weight | 4382.60 g/mol |
| Exact Mass | 4380.18 |
| IUPAC Name | — |
| SMILES | CC[C@@]1(C)CN(C(=O)CCC(=O)NCC(=O)Cc2cc(C(=O)N[C@H](CCC(=O)NCCOCCOC3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)C(=O)CCCOCCOC3O[C@H](CO)[C@H](O)[C@H](O)C3NC(C)=O)cc(C(=O)N[C@H](CCC(=O)CCCOCCOC3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](C)[C@H]3C)C(=O)NCCOCCOC3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3C)c2)C[C@@]1(C)CO.CC[C@H]1OC(OCCOCCNC(=O)CC[C@@H](NC(=O)c2cc(CC(=O)CNC(=O)CCC(=O)N3C[C@](C)(COC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)[C@](C)(CO)C3)cc(C(=O)N[C@H](CCC(=O)CCCOCCOC3O[C@H](CO)[C@H](O)[C@H](O)C3C)C(=O)NCCOCCOC3O[C@H](COC(C)=O)[C@H](C)[C@H](C)[C@H]3C)c2)C(=O)CCCOCCOC2O[C@H](CO)[C@H](C)[C@H](C)[C@H]2NC(C)=O)[C@H](NC(C)=O)[C@@H](C)[C@H]1C.O=C1CCC(=O)O1.[3H][B].[U] |
| InChI | InChI=1S/C111H166N8O33.C87H140N8O37.C4H4O3.BH.U/c1-17-91-69(4)71(6)98(115-75(10)123)107(149-91)145-54-50-141-45-41-112-95(129)38-37-88(90(128)26-22-44-140-48-53-146-108-99(116-76(11)124)72(7)70(5)92(60-120)150-108)117-102(134)79-55-78(57-85(127)59-114-96(130)39-40-97(131)119-63-109(13,65-122)110(14,64-119)66-148-111(81-23-19-18-20-24-81,82-27-32-86(137-15)33-28-82)83-29-34-87(138-16)35-30-83)56-80(58-79)103(135)118-89(36-31-84(126)25-21-43-139-47-51-144-106-74(9)100(132)101(133)93(61-121)151-106)104(136)113-42-46-142-49-52-143-105-73(8)67(2)68(3)94(152-105)62-147-77(12)125;1-11-86(9)45-95(46-87(86,10)47-99)69(109)21-20-68(108)90-40-59(105)38-55-36-56(79(116)93-60(62(106)15-13-25-120-29-34-125-84-70(91-51(5)100)76(114)74(112)64(42-97)130-84)18-19-67(107)88-22-26-121-31-35-126-85-71(92-52(6)101)77(115)75(113)65(43-98)131-85)39-57(37-55)80(117)94-61(81(118)89-23-27-122-30-33-124-83-50(4)72(110)73(111)63(41-96)129-83)17-16-58(104)14-12-24-119-28-32-123-82-49(3)48(2)78(128-54(8)103)66(132-82)44-127-53(7)102;5-3-1-2-4(6)7-3;;/h18-20,23-24,27-30,32-35,55-56,58,67-74,88-89,91-94,98-101,105-108,120-122,132-133H,17,21-22,25-26,31,36-54,57,59-66H2,1-16H3,(H,112,129)(H,113,136)(H,114,130)(H,115,123)(H,116,124)(H,117,134)(H,118,135);36-37,39,48-50,60-61,63-66,70-78,82-85,96-99,110-115H,11-35,38,40-47H2,1-10H3,(H,88,107)(H,89,118)(H,90,108)(H,91,100)(H,92,101)(H,93,116)(H,94,117);1-2H2;1H;/t67-,68+,69+,70+,71-,72-,73+,74?,88+,89+,91+,92+,93+,94+,98+,99+,100+,101-,105?,106?,107?,108?,109-,110+;48-,49-,50-,60-,61-,63-,64-,65-,66-,70?,71-,72-,73+,74+,75+,76-,77-,78-,82?,83?,84?,85?,86+,87+;;;/m01.../s1/i;;;1T; |
| InChIKey | DTYABRAVQADIET-YQFSYCCKSA-N |
| XLogP | 0.49 |
| TPSA | 1225.37 Ų |
| H-Bond Donors | 29 |
| H-Bond Acceptors | 73 |
| Rotatable Bonds | 124 |
| Heavy Atoms | 293 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4382.60 |
| LogP ≤ 5 | 0.49 |
| H-Bond Donors ≤ 5 | 29 |
| H-Bond Acceptors ≤ 10 | 73 |