[(16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] 2-[(2-aminooxyacetyl)-methylamino]propanoate;[(16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] 2-[[2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethoxy]acetyl]-methylamino]propanoate;morpholine

C88H114Cl2N8O25 — CID 158761209

About [(16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] 2-[(2-aminooxyacetyl)-methylamino]propanoate;[(16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] 2-[[2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethoxy]acetyl]-methylamino]propanoate;morpholine

[(16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] 2-[(2-aminooxyacetyl)-methylamino]propanoate;[(16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] 2-[[2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethoxy]acetyl]-methylamino]propanoate;morpholine (PubChem CID 158761209) has the molecular formula C88H114Cl2N8O25 and a molecular weight of 1754.82 g/mol. Its IUPAC name is [(16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] 2-[(2-aminooxyacetyl)-methylamino]propanoate;[(16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] 2-[[2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethoxy]acetyl]-methylamino]propanoate;morpholine.

Molecular Properties

• Compound Name: [(16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] 2-[(2-aminooxyacetyl)-methylamino]propanoate;[(16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] 2-[[2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethoxy]acetyl]-methylamino]propanoate;morpholine
• PubChem CID: 158761209
• Molecular Formula: C88H114Cl2N8O25
• Molecular Weight: 1754.82 g/mol
• Exact Mass: 1752.73
• IUPAC Name: [(16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] 2-[(2-aminooxyacetyl)-methylamino]propanoate;[(16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] 2-[[2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethoxy]acetyl]-methylamino]propanoate;morpholine
• SMILES: C1COCCN1.COc1cc2cc(c1Cl)N(C)C(=O)CC(OC(=O)C(C)N(C)C(=O)COCC(=O)OCC1c3ccccc3-c3ccccc31)C1(C)OC1C(C)C1CC(O)(NC(=O)O1)C(OC)/C=C\C=C(\C)C2.COc1cc2cc(c1Cl)N(C)C(=O)CC(OC(=O)C(C)N(C)C(=O)CON)C1(C)OC1C(C)C1CC(O)(NC(=O)O1)C(OC)/C=C/C=C(\C)C2
• InChI: InChI=1S/C50H58ClN3O13.C34H47ClN4O11.C4H9NO/c1-28-14-13-19-40(62-8)50(60)24-39(65-48(59)52-50)29(2)46-49(4,67-46)41(23-42(55)54(6)37-21-31(20-28)22-38(61-7)45(37)51)66-47(58)30(3)53(5)43(56)26-63-27-44(57)64-25-36-34-17-11-9-15-32(34)33-16-10-12-18-35(33)36;1-18-10-9-11-25(46-8)34(44)16-24(48-32(43)37-34)19(2)30-33(4,50-30)26(49-31(42)20(3)38(5)28(41)17-47-36)15-27(40)39(6)22-13-21(12-18)14-23(45-7)29(22)35;1-3-6-4-2-5-1/h9-19,21-22,29-30,36,39-41,46,60H,20,23-27H2,1-8H3,(H,52,59);9-11,13-14,19-20,24-26,30,44H,12,15-17,36H2,1-8H3,(H,37,43);5H,1-4H2/b19-13-,28-14-;11-9+,18-10+
• InChIKey: IORQNFIZBKZNRW-HZGLHHGISA-N
• XLogP: 7.90
• TPSA: 404.98 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 18
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1754.82
LogP ≤ 5	7.90
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] 2-[(2-aminooxyacetyl)-methylamino]propanoate;[(16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] 2-[[2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethoxy]acetyl]-methylamino]propanoate;morpholine?

The IUPAC name of [(16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] 2-[(2-aminooxyacetyl)-methylamino]propanoate;[(16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] 2-[[2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethoxy]acetyl]-methylamino]propanoate;morpholine (CID 158761209) is [(16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] 2-[(2-aminooxyacetyl)-methylamino]propanoate;[(16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] 2-[[2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethoxy]acetyl]-methylamino]propanoate;morpholine.

What is the SMILES notation for [(16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] 2-[(2-aminooxyacetyl)-methylamino]propanoate;[(16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] 2-[[2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethoxy]acetyl]-methylamino]propanoate;morpholine?

The canonical SMILES for [(16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] 2-[(2-aminooxyacetyl)-methylamino]propanoate;[(16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] 2-[[2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethoxy]acetyl]-methylamino]propanoate;morpholine is C1COCCN1.COc1cc2cc(c1Cl)N(C)C(=O)CC(OC(=O)C(C)N(C)C(=O)COCC(=O)OCC1c3ccccc3-c3ccccc31)C1(C)OC1C(C)C1CC(O)(NC(=O)O1)C(OC)/C=C\C=C(\C)C2.COc1cc2cc(c1Cl)N(C)C(=O)CC(OC(=O)C(C)N(C)C(=O)CON)C1(C)OC1C(C)C1CC(O)(NC(=O)O1)C(OC)/C=C/C=C(\C)C2.

What is the InChIKey of [(16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] 2-[(2-aminooxyacetyl)-methylamino]propanoate;[(16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] 2-[[2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethoxy]acetyl]-methylamino]propanoate;morpholine?

The InChIKey is IORQNFIZBKZNRW-HZGLHHGISA-N. The full InChI is InChI=1S/C50H58ClN3O13.C34H47ClN4O11.C4H9NO/c1-28-14-13-19-40(62-8)50(60)24-39(65-48(59)52-50)29(2)46-49(4,67-46)41(23-42(55)54(6)37-21-31(20-28)22-38(61-7)45(37)51)66-47(58)30(3)53(5)43(56)26-63-27-44(57)64-25-36-34-17-11-9-15-32(34)33-16-10-12-18-35(33)36;1-18-10-9-11-25(46-8)34(44)16-24(48-32(43)37-34)19(2)30-33(4,50-30)26(49-31(42)20(3)38(5)28(41)17-47-36)15-27(40)39(6)22-13-21(12-18)14-23(45-7)29(22)35;1-3-6-4-2-5-1/h9-19,21-22,29-30,36,39-41,46,60H,20,23-27H2,1-8H3,(H,52,59);9-11,13-14,19-20,24-26,30,44H,12,15-17,36H2,1-8H3,(H,37,43);5H,1-4H2/b19-13-,28-14-;11-9+,18-10+;.

What are the key properties of [(16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] 2-[(2-aminooxyacetyl)-methylamino]propanoate;[(16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] 2-[[2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethoxy]acetyl]-methylamino]propanoate;morpholine?

[(16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] 2-[(2-aminooxyacetyl)-methylamino]propanoate;[(16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] 2-[[2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethoxy]acetyl]-methylamino]propanoate;morpholine has a molecular weight of 1754.82 g/mol, XLogP of 7.90, 18 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for [(16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] 2-[(2-aminooxyacetyl)-methylamino]propanoate;[(16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] 2-[[2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethoxy]acetyl]-methylamino]propanoate;morpholine is sourced from PubChem (CID 158761209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).