sodium;methanamine;methyl (Z)-4-[8-(3,4-dihydroxy-4-methylpentyl)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoate;methyl (Z)-4-[8-(3,4-dihydroxy-4-methylpentyl)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-16-morpholin-4-yl-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoate;methyl (Z)-4-[12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoate;methyl (Z)-4-[12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-16-morpholin-4-yl-14,18-dioxo-8-(3-oxopropyl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoate;periodate

C162H205IN3NaO43 — CID 158681442

IUPACsodium;methanamine;methyl (Z)-4-[8-(3,4-dihydroxy-4-methylpentyl)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoate;methyl (Z)-4-[8-(3,4-dihydroxy-4-methylpentyl)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-16-morpholin-4-yl-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoate;methyl (Z)-4-[12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoate;methyl (Z)-4-[12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-16-morpholin-4-yl-14,18-dioxo-8-(3-oxopropyl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoate;periodate
SMILESCN.COC(=O)/C(C)=C\CC12OC(C)(C)C3CC(C1=O)C(N1CCOCC1)C1C(=O)c4c(O)c5c(c(CC=C(C)C)c4OC132)OC(C)(CCC(O)C(C)(C)O)C=C5.COC(=O)/C(C)=C\CC12OC(C)(C)C3CC(C1=O)C(N1CCOCC1)C1C(=O)c4c(O)c5c(c(CC=C(C)C)c4OC132)OC(C)(CCC=O)C=C5.COC(=O)/C(C)=C\CC12OC(C)(C)C3CC(C=C4C(=O)c5c(O)c6c(c(CC=C(C)C)c5OC431)OC(C)(CCC(O)C(C)(C)O)C=C6)C2=O.COC(=O)/C(C)=C\CC12OC(C)(C)C3CC(C=C4C(=O)c5c(O)c6c(c(CC=C(C)C)c5OC431)OC(C)(CCC=C(C)C)C=C6)C2=O.[Na+].[O-][I+3]([O-])([O-])[O-]
InChIInChI=1S/C43H57NO11.C40H49NO10.C39H48O10.C39H46O8.CH5N.IO4.Na/c1-23(2)10-11-26-35-25(13-15-41(8,53-35)16-14-29(45)39(4,5)50)33(46)30-34(47)31-32(44-18-20-52-21-19-44)27-22-28-40(6,7)55-42(37(27)48,43(28,31)54-36(26)30)17-12-24(3)38(49)51-9;1-22(2)9-10-25-33-24(12-14-38(6,49-33)13-8-18-42)31(43)28-32(44)29-30(41-16-19-48-20-17-41)26-21-27-37(4,5)51-39(35(26)45,40(27,29)50-34(25)28)15-11-23(3)36(46)47-7;1-20(2)10-11-24-31-23(13-15-37(8,47-31)16-14-27(40)35(4,5)45)29(41)28-30(42)25-18-22-19-26-36(6,7)49-38(33(22)43,39(25,26)48-32(24)28)17-12-21(3)34(44)46-9;1-21(2)11-10-16-37(8)17-15-25-30(40)29-31(41)27-19-24-20-28-36(6,7)47-38(34(24)42,18-14-23(5)35(43)44-9)39(27,28)46-33(29)26(32(25)45-37)13-12-22(3)4;1-2;2-1(3,4)5;/h10,12-13,15,27-29,31-32,45-46,50H,11,14,16-22H2,1-9H3;9,11-12,14,18,26-27,29-30,43H,8,10,13,15-17,19-21H2,1-7H3;10,12-13,15,18,22,26-27,40-41,45H,11,14,16-17,19H2,1-9H3;11-12,14-15,17,19,24,28,40H,10,13,16,18,20H2,1-9H3;2H2,1H3;;/q;;;;;-1;+1/b24-12-;23-11-;21-12-;23-14-;;;
InChIKeyIFEIXYRHBCDTIH-IPFLGYNCSA-N
MW3032.29 g/mol
LogP11.48
Rot. Bonds36

About sodium;methanamine;methyl (Z)-4-[8-(3,4-dihydroxy-4-methylpentyl)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoate;methyl (Z)-4-[8-(3,4-dihydroxy-4-methylpentyl)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-16-morpholin-4-yl-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoate;methyl (Z)-4-[12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoate;methyl (Z)-4-[12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-16-morpholin-4-yl-14,18-dioxo-8-(3-oxopropyl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoate;periodate

sodium;methanamine;methyl (Z)-4-[8-(3,4-dihydroxy-4-methylpentyl)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoate;methyl (Z)-4-[8-(3,4-dihydroxy-4-methylpentyl)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-16-morpholin-4-yl-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoate;methyl (Z)-4-[12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoate;methyl (Z)-4-[12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-16-morpholin-4-yl-14,18-dioxo-8-(3-oxopropyl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoate;periodate (PubChem CID 158681442) has the molecular formula C162H205IN3NaO43 and a molecular weight of 3032.29 g/mol. Its IUPAC name is sodium;methanamine;methyl (Z)-4-[8-(3,4-dihydroxy-4-methylpentyl)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoate;methyl (Z)-4-[8-(3,4-dihydroxy-4-methylpentyl)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-16-morpholin-4-yl-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoate;methyl (Z)-4-[12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoate;methyl (Z)-4-[12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-16-morpholin-4-yl-14,18-dioxo-8-(3-oxopropyl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoate;periodate.

Molecular Properties

Compound Namesodium;methanamine;methyl (Z)-4-[8-(3,4-dihydroxy-4-methylpentyl)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoate;methyl (Z)-4-[8-(3,4-dihydroxy-4-methylpentyl)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-16-morpholin-4-yl-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoate;methyl (Z)-4-[12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoate;methyl (Z)-4-[12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-16-morpholin-4-yl-14,18-dioxo-8-(3-oxopropyl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoate;periodate
PubChem CID158681442
Molecular FormulaC162H205IN3NaO43
Molecular Weight3032.29 g/mol
Exact Mass3030.29
IUPAC Namesodium;methanamine;methyl (Z)-4-[8-(3,4-dihydroxy-4-methylpentyl)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoate;methyl (Z)-4-[8-(3,4-dihydroxy-4-methylpentyl)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-16-morpholin-4-yl-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoate;methyl (Z)-4-[12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoate;methyl (Z)-4-[12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-16-morpholin-4-yl-14,18-dioxo-8-(3-oxopropyl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoate;periodate
SMILESCN.COC(=O)/C(C)=C\CC12OC(C)(C)C3CC(C1=O)C(N1CCOCC1)C1C(=O)c4c(O)c5c(c(CC=C(C)C)c4OC132)OC(C)(CCC(O)C(C)(C)O)C=C5.COC(=O)/C(C)=C\CC12OC(C)(C)C3CC(C1=O)C(N1CCOCC1)C1C(=O)c4c(O)c5c(c(CC=C(C)C)c4OC132)OC(C)(CCC=O)C=C5.COC(=O)/C(C)=C\CC12OC(C)(C)C3CC(C=C4C(=O)c5c(O)c6c(c(CC=C(C)C)c5OC431)OC(C)(CCC(O)C(C)(C)O)C=C6)C2=O.COC(=O)/C(C)=C\CC12OC(C)(C)C3CC(C=C4C(=O)c5c(O)c6c(c(CC=C(C)C)c5OC431)OC(C)(CCC=C(C)C)C=C6)C2=O.[Na+].[O-][I+3]([O-])([O-])[O-]
InChIInChI=1S/C43H57NO11.C40H49NO10.C39H48O10.C39H46O8.CH5N.IO4.Na/c1-23(2)10-11-26-35-25(13-15-41(8,53-35)16-14-29(45)39(4,5)50)33(46)30-34(47)31-32(44-18-20-52-21-19-44)27-22-28-40(6,7)55-42(37(27)48,43(28,31)54-36(26)30)17-12-24(3)38(49)51-9;1-22(2)9-10-25-33-24(12-14-38(6,49-33)13-8-18-42)31(43)28-32(44)29-30(41-16-19-48-20-17-41)26-21-27-37(4,5)51-39(35(26)45,40(27,29)50-34(25)28)15-11-23(3)36(46)47-7;1-20(2)10-11-24-31-23(13-15-37(8,47-31)16-14-27(40)35(4,5)45)29(41)28-30(42)25-18-22-19-26-36(6,7)49-38(33(22)43,39(25,26)48-32(24)28)17-12-21(3)34(44)46-9;1-21(2)11-10-16-37(8)17-15-25-30(40)29-31(41)27-19-24-20-28-36(6,7)47-38(34(24)42,18-14-23(5)35(43)44-9)39(27,28)46-33(29)26(32(25)45-37)13-12-22(3)4;1-2;2-1(3,4)5;/h10,12-13,15,27-29,31-32,45-46,50H,11,14,16-22H2,1-9H3;9,11-12,14,18,26-27,29-30,43H,8,10,13,15-17,19-21H2,1-7H3;10,12-13,15,18,22,26-27,40-41,45H,11,14,16-17,19H2,1-9H3;11-12,14-15,17,19,24,28,40H,10,13,16,18,20H2,1-9H3;2H2,1H3;;/q;;;;;-1;+1/b24-12-;23-11-;21-12-;23-14-;;;
InChIKeyIFEIXYRHBCDTIH-IPFLGYNCSA-N
XLogP11.48
TPSA674.63 Ų
H-Bond Donors9
H-Bond Acceptors46
Rotatable Bonds36
Heavy Atoms210
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003032.29
LogP ≤ 511.48
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze sodium;methanamine;methyl (Z)-4-[8-(3,4-dihydroxy-4-methylpentyl)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoate;methyl (Z)-4-[8-(3,4-dihydroxy-4-methylpentyl)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-16-morpholin-4-yl-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoate;methyl (Z)-4-[12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoate;methyl (Z)-4-[12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-16-morpholin-4-yl-14,18-dioxo-8-(3-oxopropyl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoate;periodate with MolForge

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Frequently Asked Questions

What is the IUPAC name of sodium;methanamine;methyl (Z)-4-[8-(3,4-dihydroxy-4-methylpentyl)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoate;methyl (Z)-4-[8-(3,4-dihydroxy-4-methylpentyl)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-16-morpholin-4-yl-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoate;methyl (Z)-4-[12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoate;methyl (Z)-4-[12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-16-morpholin-4-yl-14,18-dioxo-8-(3-oxopropyl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoate;periodate?
The IUPAC name of sodium;methanamine;methyl (Z)-4-[8-(3,4-dihydroxy-4-methylpentyl)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoate;methyl (Z)-4-[8-(3,4-dihydroxy-4-methylpentyl)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-16-morpholin-4-yl-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoate;methyl (Z)-4-[12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoate;methyl (Z)-4-[12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-16-morpholin-4-yl-14,18-dioxo-8-(3-oxopropyl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoate;periodate (CID 158681442) is sodium;methanamine;methyl (Z)-4-[8-(3,4-dihydroxy-4-methylpentyl)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoate;methyl (Z)-4-[8-(3,4-dihydroxy-4-methylpentyl)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-16-morpholin-4-yl-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoate;methyl (Z)-4-[12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoate;methyl (Z)-4-[12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-16-morpholin-4-yl-14,18-dioxo-8-(3-oxopropyl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoate;periodate.
What is the SMILES notation for sodium;methanamine;methyl (Z)-4-[8-(3,4-dihydroxy-4-methylpentyl)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoate;methyl (Z)-4-[8-(3,4-dihydroxy-4-methylpentyl)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-16-morpholin-4-yl-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoate;methyl (Z)-4-[12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoate;methyl (Z)-4-[12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-16-morpholin-4-yl-14,18-dioxo-8-(3-oxopropyl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoate;periodate?
The canonical SMILES for sodium;methanamine;methyl (Z)-4-[8-(3,4-dihydroxy-4-methylpentyl)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoate;methyl (Z)-4-[8-(3,4-dihydroxy-4-methylpentyl)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-16-morpholin-4-yl-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoate;methyl (Z)-4-[12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoate;methyl (Z)-4-[12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-16-morpholin-4-yl-14,18-dioxo-8-(3-oxopropyl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoate;periodate is CN.COC(=O)/C(C)=C\CC12OC(C)(C)C3CC(C1=O)C(N1CCOCC1)C1C(=O)c4c(O)c5c(c(CC=C(C)C)c4OC132)OC(C)(CCC(O)C(C)(C)O)C=C5.COC(=O)/C(C)=C\CC12OC(C)(C)C3CC(C1=O)C(N1CCOCC1)C1C(=O)c4c(O)c5c(c(CC=C(C)C)c4OC132)OC(C)(CCC=O)C=C5.COC(=O)/C(C)=C\CC12OC(C)(C)C3CC(C=C4C(=O)c5c(O)c6c(c(CC=C(C)C)c5OC431)OC(C)(CCC(O)C(C)(C)O)C=C6)C2=O.COC(=O)/C(C)=C\CC12OC(C)(C)C3CC(C=C4C(=O)c5c(O)c6c(c(CC=C(C)C)c5OC431)OC(C)(CCC=C(C)C)C=C6)C2=O.[Na+].[O-][I+3]([O-])([O-])[O-].
What is the InChIKey of sodium;methanamine;methyl (Z)-4-[8-(3,4-dihydroxy-4-methylpentyl)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoate;methyl (Z)-4-[8-(3,4-dihydroxy-4-methylpentyl)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-16-morpholin-4-yl-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoate;methyl (Z)-4-[12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoate;methyl (Z)-4-[12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-16-morpholin-4-yl-14,18-dioxo-8-(3-oxopropyl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoate;periodate?
The InChIKey is IFEIXYRHBCDTIH-IPFLGYNCSA-N. The full InChI is InChI=1S/C43H57NO11.C40H49NO10.C39H48O10.C39H46O8.CH5N.IO4.Na/c1-23(2)10-11-26-35-25(13-15-41(8,53-35)16-14-29(45)39(4,5)50)33(46)30-34(47)31-32(44-18-20-52-21-19-44)27-22-28-40(6,7)55-42(37(27)48,43(28,31)54-36(26)30)17-12-24(3)38(49)51-9;1-22(2)9-10-25-33-24(12-14-38(6,49-33)13-8-18-42)31(43)28-32(44)29-30(41-16-19-48-20-17-41)26-21-27-37(4,5)51-39(35(26)45,40(27,29)50-34(25)28)15-11-23(3)36(46)47-7;1-20(2)10-11-24-31-23(13-15-37(8,47-31)16-14-27(40)35(4,5)45)29(41)28-30(42)25-18-22-19-26-36(6,7)49-38(33(22)43,39(25,26)48-32(24)28)17-12-21(3)34(44)46-9;1-21(2)11-10-16-37(8)17-15-25-30(40)29-31(41)27-19-24-20-28-36(6,7)47-38(34(24)42,18-14-23(5)35(43)44-9)39(27,28)46-33(29)26(32(25)45-37)13-12-22(3)4;1-2;2-1(3,4)5;/h10,12-13,15,27-29,31-32,45-46,50H,11,14,16-22H2,1-9H3;9,11-12,14,18,26-27,29-30,43H,8,10,13,15-17,19-21H2,1-7H3;10,12-13,15,18,22,26-27,40-41,45H,11,14,16-17,19H2,1-9H3;11-12,14-15,17,19,24,28,40H,10,13,16,18,20H2,1-9H3;2H2,1H3;;/q;;;;;-1;+1/b24-12-;23-11-;21-12-;23-14-;;;.
What are the key properties of sodium;methanamine;methyl (Z)-4-[8-(3,4-dihydroxy-4-methylpentyl)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoate;methyl (Z)-4-[8-(3,4-dihydroxy-4-methylpentyl)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-16-morpholin-4-yl-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoate;methyl (Z)-4-[12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoate;methyl (Z)-4-[12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-16-morpholin-4-yl-14,18-dioxo-8-(3-oxopropyl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoate;periodate?
sodium;methanamine;methyl (Z)-4-[8-(3,4-dihydroxy-4-methylpentyl)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoate;methyl (Z)-4-[8-(3,4-dihydroxy-4-methylpentyl)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-16-morpholin-4-yl-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoate;methyl (Z)-4-[12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoate;methyl (Z)-4-[12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-16-morpholin-4-yl-14,18-dioxo-8-(3-oxopropyl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoate;periodate has a molecular weight of 3032.29 g/mol, XLogP of 11.48, 36 rotatable bonds, 9 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;methanamine;methyl (Z)-4-[8-(3,4-dihydroxy-4-methylpentyl)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoate;methyl (Z)-4-[8-(3,4-dihydroxy-4-methylpentyl)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-16-morpholin-4-yl-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoate;methyl (Z)-4-[12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoate;methyl (Z)-4-[12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-16-morpholin-4-yl-14,18-dioxo-8-(3-oxopropyl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoate;periodate is sourced from PubChem (CID 158681442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).