C154H215ClF6N40O40P8S8Si2 — CID 165043749
1-[(2R)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(6-aminopurin-9-yl)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]-4-[3-methyl-5-(trifluoromethyl)benzoyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(6-aminopurin-9-yl)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione;3-methyl-5-(trifluoromethyl)benzoyl chloride;sulfane (PubChem CID 165043749) has the molecular formula C154H215ClF6N40O40P8S8Si2 and a molecular weight of 3976.59 g/mol. Its IUPAC name is 1-[(2R)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(6-aminopurin-9-yl)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]-4-[3-methyl-5-(trifluoromethyl)benzoyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(6-aminopurin-9-yl)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione;3-methyl-5-(trifluoromethyl)benzoyl chloride;sulfane.
| Compound Name | 1-[(2R)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(6-aminopurin-9-yl)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]-4-[3-methyl-5-(trifluoromethyl)benzoyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(6-aminopurin-9-yl)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione;3-methyl-5-(trifluoromethyl)benzoyl chloride;sulfane |
|---|---|
| PubChem CID | 165043749 |
| Molecular Formula | C154H215ClF6N40O40P8S8Si2 |
| Molecular Weight | 3976.59 g/mol |
| Exact Mass | 3973.08 |
| IUPAC Name | 1-[(2R)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(6-aminopurin-9-yl)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]-4-[3-methyl-5-(trifluoromethyl)benzoyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione;1-[(2R)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(4-amino-2-oxopyrimidin-1-yl)-6-[[[(2R,6S)-2-(6-aminopurin-9-yl)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-4-yl]-methylphosphoryl]oxymethyl]morpholin-2-yl]-5-methylpyrimidine-2,4-dione;3-methyl-5-(trifluoromethyl)benzoyl chloride;sulfane |
| SMILES | Cc1cc(C(=O)Cl)cc(C(F)(F)F)c1.Cc1cc(C(=O)N2CC(CO[P@](C)(=O)N3C[C@@H](CO[P@](C)(=O)N4C[C@@H](CO[P@](C)(=O)N5C[C@@H](CO[P@](C)(=O)C6C[C@@H](CO[Si](c7ccccc7)(c7ccccc7)C(C)(C)C)O[C@@H](n7cnc8c(N)ncnc87)C6)O[C@@H](n6ccc(N)nc6=O)C5)O[C@@H](n5ccc(N)nc5=O)C4)O[C@@H](n4ccc(N)nc4=O)C3)O[C@@H](n3cc(C)c(=O)[nH]c3=O)C2)cc(C(F)(F)F)c1.Cc1cn([C@H]2CNCC(CO[P@](C)(=O)N3C[C@@H](CO[P@](C)(=O)N4C[C@@H](CO[P@](C)(=O)N5C[C@@H](CO[P@](C)(=O)C6C[C@@H](CO[Si](c7ccccc7)(c7ccccc7)C(C)(C)C)O[C@@H](n7cnc8c(N)ncnc87)C6)O[C@@H](n6ccc(N)nc6=O)C5)O[C@@H](n5ccc(N)nc5=O)C4)O[C@@H](n4ccc(N)nc4=O)C3)O2)c(=O)[nH]c1=O.S.S.S.S.S.S.S.S |
| InChI | InChI=1S/C77H99F3N20O20P4Si.C68H94N20O19P4Si.C9H6ClF3O.8H2S/c1-47-26-49(28-50(27-47)77(78,79)80)71(102)92-32-52(117-63(36-92)99-31-48(2)70(101)91-75(99)106)41-112-122(7,108)94-34-54(119-65(38-94)97-24-21-60(82)89-73(97)104)43-114-124(9,110)95-35-55(120-66(39-95)98-25-22-61(83)90-74(98)105)42-113-123(8,109)93-33-53(118-64(37-93)96-23-20-59(81)88-72(96)103)40-111-121(6,107)56-29-51(116-62(30-56)100-46-87-67-68(84)85-45-86-69(67)100)44-115-125(76(3,4)5,57-16-12-10-13-17-57)58-18-14-11-15-19-58;1-43-29-87(67(93)80-63(43)89)56-28-73-27-45(104-56)36-99-109(6,95)82-31-47(106-58(34-82)85-23-20-53(70)78-65(85)91)38-101-111(8,97)83-32-48(107-59(35-83)86-24-21-54(71)79-66(86)92)39-100-110(7,96)81-30-46(105-57(33-81)84-22-19-52(69)77-64(84)90)37-98-108(5,94)49-25-44(103-55(26-49)88-42-76-60-61(72)74-41-75-62(60)88)40-102-112(68(2,3)4,50-15-11-9-12-16-50)51-17-13-10-14-18-51;1-5-2-6(8(10)14)4-7(3-5)9(11,12)13;;;;;;;;/h10-28,31,45-46,51-56,62-66H,29-30,32-44H2,1-9H3,(H2,81,88,103)(H2,82,89,104)(H2,83,90,105)(H2,84,85,86)(H,91,101,106);9-24,29,41-42,44-49,55-59,73H,25-28,30-40H2,1-8H3,(H2,69,77,90)(H2,70,78,91)(H2,71,79,92)(H2,72,74,75)(H,80,89,93);2-4H,1H3;8*1H2/t51-,52?,53-,54-,55-,56?,62+,63+,64+,65+,66+,121-,122-,123-,124-;44-,45?,46-,47-,48-,49?,55+,56+,57+,58+,59+,108-,109-,110-,111-;;;;;;;;;/m00........./s1 |
| InChIKey | OOBWJKMTEQJIQN-BGEXGFQWSA-N |
| XLogP | 13.05 |
| TPSA | 1004.43 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 71 |
| Rotatable Bonds | 54 |
| Heavy Atoms | 259 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3976.59 |
| LogP ≤ 5 | 13.05 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 71 |