About bis((2E,4E,6E,10E,16E,18E,20E,22E,24E,26E)-13,15-dihydroxy-2,12,14,30-tetramethyl-31-oxo-29-sulfooxydotriaconta-2,4,6,10,16,18,20,22,24,26-decaenoic acid);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);(2E,4E,6E,10E,16E,18E,20E,22E,24E,26E)-13,15,29-trihydroxy-2,12,14,30-tetramethyl-31-oxodotriaconta-2,4,6,10,16,18,20,22,24,26-decaenoic acid
bis((2E,4E,6E,10E,16E,18E,20E,22E,24E,26E)-13,15-dihydroxy-2,12,14,30-tetramethyl-31-oxo-29-sulfooxydotriaconta-2,4,6,10,16,18,20,22,24,26-decaenoic acid);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);(2E,4E,6E,10E,16E,18E,20E,22E,24E,26E)-13,15,29-trihydroxy-2,12,14,30-tetramethyl-31-oxodotriaconta-2,4,6,10,16,18,20,22,24,26-decaenoic acid (PubChem CID 162185358) has the molecular formula C204H329N9O52S2
and a molecular weight of 3804.02 g/mol. Its IUPAC name is bis((2E,4E,6E,10E,16E,18E,20E,22E,24E,26E)-13,15-dihydroxy-2,12,14,30-tetramethyl-31-oxo-29-sulfooxydotriaconta-2,4,6,10,16,18,20,22,24,26-decaenoic acid);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);(2E,4E,6E,10E,16E,18E,20E,22E,24E,26E)-13,15,29-trihydroxy-2,12,14,30-tetramethyl-31-oxodotriaconta-2,4,6,10,16,18,20,22,24,26-decaenoic acid.
Frequently Asked Questions
What is the IUPAC name of bis((2E,4E,6E,10E,16E,18E,20E,22E,24E,26E)-13,15-dihydroxy-2,12,14,30-tetramethyl-31-oxo-29-sulfooxydotriaconta-2,4,6,10,16,18,20,22,24,26-decaenoic acid);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);(2E,4E,6E,10E,16E,18E,20E,22E,24E,26E)-13,15,29-trihydroxy-2,12,14,30-tetramethyl-31-oxodotriaconta-2,4,6,10,16,18,20,22,24,26-decaenoic acid?
The IUPAC name of bis((2E,4E,6E,10E,16E,18E,20E,22E,24E,26E)-13,15-dihydroxy-2,12,14,30-tetramethyl-31-oxo-29-sulfooxydotriaconta-2,4,6,10,16,18,20,22,24,26-decaenoic acid);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);(2E,4E,6E,10E,16E,18E,20E,22E,24E,26E)-13,15,29-trihydroxy-2,12,14,30-tetramethyl-31-oxodotriaconta-2,4,6,10,16,18,20,22,24,26-decaenoic acid (CID 162185358) is bis((2E,4E,6E,10E,16E,18E,20E,22E,24E,26E)-13,15-dihydroxy-2,12,14,30-tetramethyl-31-oxo-29-sulfooxydotriaconta-2,4,6,10,16,18,20,22,24,26-decaenoic acid);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);(2E,4E,6E,10E,16E,18E,20E,22E,24E,26E)-13,15,29-trihydroxy-2,12,14,30-tetramethyl-31-oxodotriaconta-2,4,6,10,16,18,20,22,24,26-decaenoic acid.
What is the SMILES notation for bis((2E,4E,6E,10E,16E,18E,20E,22E,24E,26E)-13,15-dihydroxy-2,12,14,30-tetramethyl-31-oxo-29-sulfooxydotriaconta-2,4,6,10,16,18,20,22,24,26-decaenoic acid);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);(2E,4E,6E,10E,16E,18E,20E,22E,24E,26E)-13,15,29-trihydroxy-2,12,14,30-tetramethyl-31-oxodotriaconta-2,4,6,10,16,18,20,22,24,26-decaenoic acid?
The canonical SMILES for bis((2E,4E,6E,10E,16E,18E,20E,22E,24E,26E)-13,15-dihydroxy-2,12,14,30-tetramethyl-31-oxo-29-sulfooxydotriaconta-2,4,6,10,16,18,20,22,24,26-decaenoic acid);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);(2E,4E,6E,10E,16E,18E,20E,22E,24E,26E)-13,15,29-trihydroxy-2,12,14,30-tetramethyl-31-oxodotriaconta-2,4,6,10,16,18,20,22,24,26-decaenoic acid is CC(=O)C(C)C(C/C=C/C=C/C=C/C=C/C=C/C=C/C(O)C(C)C(O)C(C)/C=C/CC/C=C/C=C/C=C(\C)C(=O)O)OS(=O)(=O)O.CC(=O)C(C)C(C/C=C/C=C/C=C/C=C/C=C/C=C/C(O)C(C)C(O)C(C)/C=C/CC/C=C/C=C/C=C(\C)C(=O)O)OS(=O)(=O)O.CC(=O)C(C)C(O)C/C=C/C=C/C=C/C=C/C=C/C=C/C(O)C(C)C(O)C(C)/C=C/CC/C=C/C=C/C=C(\C)C(=O)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((2E,4E,6E,10E,16E,18E,20E,22E,24E,26E)-13,15-dihydroxy-2,12,14,30-tetramethyl-31-oxo-29-sulfooxydotriaconta-2,4,6,10,16,18,20,22,24,26-decaenoic acid);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);(2E,4E,6E,10E,16E,18E,20E,22E,24E,26E)-13,15,29-trihydroxy-2,12,14,30-tetramethyl-31-oxodotriaconta-2,4,6,10,16,18,20,22,24,26-decaenoic acid?
The InChIKey is ZPOWHEZGSWJXAQ-MDATYGTHSA-N. The full InChI is InChI=1S/C38H69N3O10.2C36H50O9S.C36H50O6.2C29H55N3O9/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*1-28(24-20-16-12-11-13-17-21-25-29(2)36(40)41)35(39)31(4)33(38)26-22-18-14-9-7-6-8-10-15-19-23-27-34(30(3)32(5)37)45-46(42,43)44;1-28(24-20-16-12-11-13-17-21-25-29(2)36(41)42)35(40)31(4)34(39)27-23-19-15-10-8-6-7-9-14-18-22-26-33(38)30(3)32(5)37;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*6-11,13-15,17-26,28,30-31,33-35,38-39H,12,16,27H2,1-5H3,(H,40,41)(H,42,43,44);6-11,13-15,17-25,27-28,30-31,33-35,38-40H,12,16,26H2,1-5H3,(H,41,42);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*8-6+,9-7+,13-11+,15-10+,18-14+,21-17+,23-19+,24-20+,26-22+,29-25+;7-6+,10-8+,13-11+,14-9+,19-15+,21-17+,22-18+,24-20+,27-23+,29-25+;2*7-3+,8-4+,12-5+.
What are the key properties of bis((2E,4E,6E,10E,16E,18E,20E,22E,24E,26E)-13,15-dihydroxy-2,12,14,30-tetramethyl-31-oxo-29-sulfooxydotriaconta-2,4,6,10,16,18,20,22,24,26-decaenoic acid);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);(2E,4E,6E,10E,16E,18E,20E,22E,24E,26E)-13,15,29-trihydroxy-2,12,14,30-tetramethyl-31-oxodotriaconta-2,4,6,10,16,18,20,22,24,26-decaenoic acid?
bis((2E,4E,6E,10E,16E,18E,20E,22E,24E,26E)-13,15-dihydroxy-2,12,14,30-tetramethyl-31-oxo-29-sulfooxydotriaconta-2,4,6,10,16,18,20,22,24,26-decaenoic acid);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);(2E,4E,6E,10E,16E,18E,20E,22E,24E,26E)-13,15,29-trihydroxy-2,12,14,30-tetramethyl-31-oxodotriaconta-2,4,6,10,16,18,20,22,24,26-decaenoic acid has a molecular weight of 3804.02 g/mol, XLogP of 20.81, 138 rotatable bonds, 45 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for bis((2E,4E,6E,10E,16E,18E,20E,22E,24E,26E)-13,15-dihydroxy-2,12,14,30-tetramethyl-31-oxo-29-sulfooxydotriaconta-2,4,6,10,16,18,20,22,24,26-decaenoic acid);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);(2E,4E,6E,10E,16E,18E,20E,22E,24E,26E)-13,15,29-trihydroxy-2,12,14,30-tetramethyl-31-oxodotriaconta-2,4,6,10,16,18,20,22,24,26-decaenoic acid is sourced from PubChem (CID 162185358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).