About 5,20-bis(azidomethyl)-10,15,25,30,35-pentakis[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;5,20-bis(azidomethyl)-10,15,25,30,35-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;[15,30-bis(azidomethyl)-5,20,25,35-tetrakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,37,38,39,40,41,42,44,45,46,47,48-dodecamethoxy-43,49-dimethyl-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-10-yl]methoxy-tert-butyl-dimethylsilane
5,20-bis(azidomethyl)-10,15,25,30,35-pentakis[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;5,20-bis(azidomethyl)-10,15,25,30,35-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;[15,30-bis(azidomethyl)-5,20,25,35-tetrakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,37,38,39,40,41,42,44,45,46,47,48-dodecamethoxy-43,49-dimethyl-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-10-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 90740459) has the molecular formula C200H372N18O97Si10
and a molecular weight of 4862.07 g/mol. Its IUPAC name is 5,20-bis(azidomethyl)-10,15,25,30,35-pentakis[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;5,20-bis(azidomethyl)-10,15,25,30,35-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;[15,30-bis(azidomethyl)-5,20,25,35-tetrakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,37,38,39,40,41,42,44,45,46,47,48-dodecamethoxy-43,49-dimethyl-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-10-yl]methoxy-tert-butyl-dimethylsilane.
Frequently Asked Questions
What is the IUPAC name of 5,20-bis(azidomethyl)-10,15,25,30,35-pentakis[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;5,20-bis(azidomethyl)-10,15,25,30,35-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;[15,30-bis(azidomethyl)-5,20,25,35-tetrakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,37,38,39,40,41,42,44,45,46,47,48-dodecamethoxy-43,49-dimethyl-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-10-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of 5,20-bis(azidomethyl)-10,15,25,30,35-pentakis[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;5,20-bis(azidomethyl)-10,15,25,30,35-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;[15,30-bis(azidomethyl)-5,20,25,35-tetrakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,37,38,39,40,41,42,44,45,46,47,48-dodecamethoxy-43,49-dimethyl-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-10-yl]methoxy-tert-butyl-dimethylsilane (CID 90740459) is 5,20-bis(azidomethyl)-10,15,25,30,35-pentakis[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;5,20-bis(azidomethyl)-10,15,25,30,35-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;[15,30-bis(azidomethyl)-5,20,25,35-tetrakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,37,38,39,40,41,42,44,45,46,47,48-dodecamethoxy-43,49-dimethyl-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-10-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 5,20-bis(azidomethyl)-10,15,25,30,35-pentakis[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;5,20-bis(azidomethyl)-10,15,25,30,35-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;[15,30-bis(azidomethyl)-5,20,25,35-tetrakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,37,38,39,40,41,42,44,45,46,47,48-dodecamethoxy-43,49-dimethyl-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-10-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 5,20-bis(azidomethyl)-10,15,25,30,35-pentakis[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;5,20-bis(azidomethyl)-10,15,25,30,35-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;[15,30-bis(azidomethyl)-5,20,25,35-tetrakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,37,38,39,40,41,42,44,45,46,47,48-dodecamethoxy-43,49-dimethyl-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-10-yl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCC1OC2OC3C(CO[Si](C)(C)C(C)(C)C)OC(OC4C(CN=[N+]=[N-])OC(OC5C(CO[Si](C)(C)C(C)(C)C)OC(OC6C(CO[Si](C)(C)C(C)(C)C)OC(OC7C(CO[Si](C)(C)C(C)(C)C)OC(OC8C(CN=[N+]=[N-])OC(OC1C(O)C2O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O.COC1C2OC(CN=[N+]=[N-])C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(OC5OC(CN=[N+]=[N-])C(OC6OC(CO[Si](C)(C)C(C)(C)C)C(OC7OC(CO[Si](C)(C)C(C)(C)C)C(OC8OC(CO[Si](C)(C)C(C)(C)C)C(O2)C(OC)C8OC)C(OC)C7C)C(OC)C6OC)C(OC)C5OC)C(OC)C4OC)C(OC)C3C)C1OC.[N-]=[N+]=NCC1OC2OC3C(CO)OC(OC4C(CO)OC(OC5C(CN=[N+]=[N-])OC(OC6C(CO)OC(OC7C(CO)OC(OC8C(CO)OC(OC1C(O)C2O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O.
What is the InChIKey of 5,20-bis(azidomethyl)-10,15,25,30,35-pentakis[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;5,20-bis(azidomethyl)-10,15,25,30,35-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;[15,30-bis(azidomethyl)-5,20,25,35-tetrakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,37,38,39,40,41,42,44,45,46,47,48-dodecamethoxy-43,49-dimethyl-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-10-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is XZJROWKZENSUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H166N6O31Si5.C72H138N6O33Si5.C42H68N6O33/c1-47-56(93-18)60-51(42-105-124(30,31)82(3,4)5)112-75(47)117-58-49(40-89-91-87)110-77(70(100-25)65(58)95-20)122-63-54(45-108-127(36,37)85(12,13)14)115-81(73(103-28)68(63)98-23)121-61-52(43-106-125(32,33)83(6,7)8)113-76(48(2)57(61)94-19)118-62-53(44-107-126(34,35)84(9,10)11)114-79(72(102-27)67(62)97-22)119-59-50(41-90-92-88)111-78(71(101-26)66(59)96-21)123-64-55(46-109-128(38,39)86(15,16)17)116-80(120-60)74(104-29)69(64)99-24;1-68(2,3)112(16,17)93-28-35-56-44(83)51(90)65(102-35)109-58-37(30-95-114(20,21)70(7,8)9)100-63(49(88)42(58)81)105-54-33(26-75-77-73)99-62(48(87)41(54)80)108-57-36(29-94-113(18,19)69(4,5)6)103-66(52(91)45(57)84)111-60-39(32-97-116(24,25)72(13,14)15)104-67(53(92)46(60)85)110-59-38(31-96-115(22,23)71(10,11)12)101-64(50(89)43(59)82)106-55-34(27-76-78-74)98-61(107-56)47(86)40(55)79;43-47-45-1-8-29-16(55)23(62)37(69-8)78-32-11(4-50)73-41(27(66)20(32)59)81-35-14(7-53)74-42(28(67)21(35)60)80-34-13(6-52)71-39(25(64)18(34)57)76-30-9(2-46-48-44)68-36(22(61)15(30)54)77-31-10(3-49)72-40(26(65)19(31)58)79-33-12(5-51)70-38(75-29)24(63)17(33)56/h47-81H,40-46H2,1-39H3;33-67,79-92H,26-32H2,1-25H3;8-42,49-67H,1-7H2.
What are the key properties of 5,20-bis(azidomethyl)-10,15,25,30,35-pentakis[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;5,20-bis(azidomethyl)-10,15,25,30,35-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;[15,30-bis(azidomethyl)-5,20,25,35-tetrakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,37,38,39,40,41,42,44,45,46,47,48-dodecamethoxy-43,49-dimethyl-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-10-yl]methoxy-tert-butyl-dimethylsilane?
5,20-bis(azidomethyl)-10,15,25,30,35-pentakis[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;5,20-bis(azidomethyl)-10,15,25,30,35-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;[15,30-bis(azidomethyl)-5,20,25,35-tetrakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,37,38,39,40,41,42,44,45,46,47,48-dodecamethoxy-43,49-dimethyl-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-10-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 4862.07 g/mol, XLogP of 2.91, 59 rotatable bonds, 33 hydrogen bond donors, and 103 hydrogen bond acceptors.
Where does this data come from?
All data for 5,20-bis(azidomethyl)-10,15,25,30,35-pentakis[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;5,20-bis(azidomethyl)-10,15,25,30,35-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;[15,30-bis(azidomethyl)-5,20,25,35-tetrakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,37,38,39,40,41,42,44,45,46,47,48-dodecamethoxy-43,49-dimethyl-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-10-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 90740459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).