About bis([(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-18,20-dihydroxy-3,19,21,31-tetramethyl-2,32-dioxotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate);2-(2-methylcyclohexyl)-N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]acetamide;bis(2-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]guanidine);(3E,5E,7E,11E,17E,19E,21E,23E,25E,27E)-14,16,30-trihydroxy-3,13,15,31-tetramethyltritriaconta-3,5,7,11,17,19,21,23,25,27-decaene-2,32-dione
bis([(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-18,20-dihydroxy-3,19,21,31-tetramethyl-2,32-dioxotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate);2-(2-methylcyclohexyl)-N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]acetamide;bis(2-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]guanidine);(3E,5E,7E,11E,17E,19E,21E,23E,25E,27E)-14,16,30-trihydroxy-3,13,15,31-tetramethyltritriaconta-3,5,7,11,17,19,21,23,25,27-decaene-2,32-dione (PubChem CID 160715309) has the molecular formula C207H335N9O49S2
and a molecular weight of 3798.10 g/mol. Its IUPAC name is bis([(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-18,20-dihydroxy-3,19,21,31-tetramethyl-2,32-dioxotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate);2-(2-methylcyclohexyl)-N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]acetamide;bis(2-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]guanidine);(3E,5E,7E,11E,17E,19E,21E,23E,25E,27E)-14,16,30-trihydroxy-3,13,15,31-tetramethyltritriaconta-3,5,7,11,17,19,21,23,25,27-decaene-2,32-dione.
Frequently Asked Questions
What is the IUPAC name of bis([(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-18,20-dihydroxy-3,19,21,31-tetramethyl-2,32-dioxotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate);2-(2-methylcyclohexyl)-N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]acetamide;bis(2-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]guanidine);(3E,5E,7E,11E,17E,19E,21E,23E,25E,27E)-14,16,30-trihydroxy-3,13,15,31-tetramethyltritriaconta-3,5,7,11,17,19,21,23,25,27-decaene-2,32-dione?
The IUPAC name of bis([(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-18,20-dihydroxy-3,19,21,31-tetramethyl-2,32-dioxotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate);2-(2-methylcyclohexyl)-N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]acetamide;bis(2-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]guanidine);(3E,5E,7E,11E,17E,19E,21E,23E,25E,27E)-14,16,30-trihydroxy-3,13,15,31-tetramethyltritriaconta-3,5,7,11,17,19,21,23,25,27-decaene-2,32-dione (CID 160715309) is bis([(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-18,20-dihydroxy-3,19,21,31-tetramethyl-2,32-dioxotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate);2-(2-methylcyclohexyl)-N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]acetamide;bis(2-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]guanidine);(3E,5E,7E,11E,17E,19E,21E,23E,25E,27E)-14,16,30-trihydroxy-3,13,15,31-tetramethyltritriaconta-3,5,7,11,17,19,21,23,25,27-decaene-2,32-dione.
What is the SMILES notation for bis([(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-18,20-dihydroxy-3,19,21,31-tetramethyl-2,32-dioxotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate);2-(2-methylcyclohexyl)-N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]acetamide;bis(2-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]guanidine);(3E,5E,7E,11E,17E,19E,21E,23E,25E,27E)-14,16,30-trihydroxy-3,13,15,31-tetramethyltritriaconta-3,5,7,11,17,19,21,23,25,27-decaene-2,32-dione?
The canonical SMILES for bis([(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-18,20-dihydroxy-3,19,21,31-tetramethyl-2,32-dioxotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate);2-(2-methylcyclohexyl)-N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]acetamide;bis(2-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]guanidine);(3E,5E,7E,11E,17E,19E,21E,23E,25E,27E)-14,16,30-trihydroxy-3,13,15,31-tetramethyltritriaconta-3,5,7,11,17,19,21,23,25,27-decaene-2,32-dione is CC(=O)/C(C)=C/C=C/C=C/CC/C=C/C(C)C(O)C(C)C(O)/C=C/C=C/C=C/C=C/C=C/C=C/CC(O)C(C)C(C)=O.CC(=O)/C(C)=C/C=C/C=C/CC/C=C/C(C)C(O)C(C)C(O)/C=C/C=C/C=C/C=C/C=C/C=C/CC(OS(=O)(=O)O)C(C)C(C)=O.CC(=O)/C(C)=C/C=C/C=C/CC/C=C/C(C)C(O)C(C)C(O)/C=C/C=C/C=C/C=C/C=C/C=C/CC(OS(=O)(=O)O)C(C)C(C)=O.CCC(O)CC(O)/C=C/CC(O)CC(O)CC(O)/C=C/CC(O)CC(O)/C=C/CC(O)CC(O)CCC/N=C(\N)NC(=O)CC1CCCCC1C.CCC(O)CC(O)/C=C/CC(O)CC(O)CC(O)/C=C/CC(O)CC(O)/C=C/CC(O)CC(O)CCCN=C(N)N.CCC(O)CC(O)/C=C/CC(O)CC(O)CC(O)/C=C/CC(O)CC(O)/C=C/CC(O)CC(O)CCCN=C(N)N.
What is the InChIKey of bis([(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-18,20-dihydroxy-3,19,21,31-tetramethyl-2,32-dioxotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate);2-(2-methylcyclohexyl)-N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]acetamide;bis(2-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]guanidine);(3E,5E,7E,11E,17E,19E,21E,23E,25E,27E)-14,16,30-trihydroxy-3,13,15,31-tetramethyltritriaconta-3,5,7,11,17,19,21,23,25,27-decaene-2,32-dione?
The InChIKey is RSJRZBFFZIDTDT-XAVYFDFISA-N. The full InChI is InChI=1S/C38H69N3O10.2C37H52O8S.C37H52O5.2C29H55N3O9/c1-3-28(42)21-29(43)12-6-16-33(47)24-36(50)25-34(48)17-8-15-31(45)22-30(44)13-7-14-32(46)23-35(49)18-9-19-40-38(39)41-37(51)20-27-11-5-4-10-26(27)2;2*1-29(33(5)38)25-21-17-13-12-14-18-22-26-30(2)37(41)32(4)35(40)27-23-19-15-10-8-7-9-11-16-20-24-28-36(31(3)34(6)39)45-46(42,43)44;1-29(33(5)38)25-21-17-13-12-14-18-22-26-30(2)37(42)32(4)36(41)28-24-20-16-11-9-7-8-10-15-19-23-27-35(40)31(3)34(6)39;2*1-2-20(33)15-21(34)7-3-11-25(38)18-28(41)19-26(39)12-5-10-23(36)16-22(35)8-4-9-24(37)17-27(40)13-6-14-32-29(30)31/h6-8,12-13,17,26-36,42-50H,3-5,9-11,14-16,18-25H2,1-2H3,(H3,39,40,41,51);2*7-13,15-17,19-27,30-32,35-37,40-41H,14,18,28H2,1-6H3,(H,42,43,44);7-13,15-17,19-26,28,30-32,35-37,40-42H,14,18,27H2,1-6H3;2*3-5,7-8,12,20-28,33-41H,2,6,9-11,13-19H2,1H3,(H4,30,31,32)/b12-6+,13-7+,17-8+;2*9-7+,10-8+,13-12+,16-11+,19-15+,21-17+,24-20+,26-22+,27-23+,29-25+;8-7+,11-9+,13-12+,15-10+,20-16+,21-17+,23-19+,26-22+,28-24+,29-25+;2*7-3+,8-4+,12-5+.
What are the key properties of bis([(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-18,20-dihydroxy-3,19,21,31-tetramethyl-2,32-dioxotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate);2-(2-methylcyclohexyl)-N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]acetamide;bis(2-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]guanidine);(3E,5E,7E,11E,17E,19E,21E,23E,25E,27E)-14,16,30-trihydroxy-3,13,15,31-tetramethyltritriaconta-3,5,7,11,17,19,21,23,25,27-decaene-2,32-dione?
bis([(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-18,20-dihydroxy-3,19,21,31-tetramethyl-2,32-dioxotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate);2-(2-methylcyclohexyl)-N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]acetamide;bis(2-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]guanidine);(3E,5E,7E,11E,17E,19E,21E,23E,25E,27E)-14,16,30-trihydroxy-3,13,15,31-tetramethyltritriaconta-3,5,7,11,17,19,21,23,25,27-decaene-2,32-dione has a molecular weight of 3798.10 g/mol, XLogP of 22.32, 138 rotatable bonds, 42 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for bis([(6E,8E,10E,12E,14E,16E,22E,26E,28E,30E)-18,20-dihydroxy-3,19,21,31-tetramethyl-2,32-dioxotritriaconta-6,8,10,12,14,16,22,26,28,30-decaen-4-yl] hydrogen sulfate);2-(2-methylcyclohexyl)-N-[N'-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]carbamimidoyl]acetamide;bis(2-[(8E,14E,22E)-4,6,10,12,16,18,20,24,26-nonahydroxyoctacosa-8,14,22-trienyl]guanidine);(3E,5E,7E,11E,17E,19E,21E,23E,25E,27E)-14,16,30-trihydroxy-3,13,15,31-tetramethyltritriaconta-3,5,7,11,17,19,21,23,25,27-decaene-2,32-dione is sourced from PubChem (CID 160715309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).