[(2R,4S)-2-methoxy-4-[(2R)-2-[(1R,9S,12S,14R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,14,18-trihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,20-tetraoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]cyclohexyl] N-[1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperidin-4-yl]carbamate

C71H118N4O20 — CID 164793396

About [(2R,4S)-2-methoxy-4-[(2R)-2-[(1R,9S,12S,14R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,14,18-trihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,20-tetraoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]cyclohexyl] N-[1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperidin-4-yl]carbamate

[(2R,4S)-2-methoxy-4-[(2R)-2-[(1R,9S,12S,14R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,14,18-trihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,20-tetraoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]cyclohexyl] N-[1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperidin-4-yl]carbamate (PubChem CID 164793396) has the molecular formula C71H118N4O20 and a molecular weight of 1347.73 g/mol. Its IUPAC name is [(2R,4S)-2-methoxy-4-[(2R)-2-[(1R,9S,12S,14R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,14,18-trihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,20-tetraoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]cyclohexyl] N-[1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperidin-4-yl]carbamate.

Molecular Properties

• Compound Name: [(2R,4S)-2-methoxy-4-[(2R)-2-[(1R,9S,12S,14R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,14,18-trihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,20-tetraoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]cyclohexyl] N-[1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperidin-4-yl]carbamate
• PubChem CID: 164793396
• Molecular Formula: C71H118N4O20
• Molecular Weight: 1347.73 g/mol
• Exact Mass: 1346.83
• IUPAC Name: [(2R,4S)-2-methoxy-4-[(2R)-2-[(1R,9S,12S,14R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,14,18-trihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,20-tetraoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]cyclohexyl] N-[1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperidin-4-yl]carbamate
• SMILES: CCOCCOCCOCCOCCOCCNC(=O)CN1CCC(NC(=O)OC2CC[C@@H](C[C@@H](C)[C@@H]3C[C@@H](O)C(C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C\C=C\C=C(/C)[C@@H](OC)C[C@@H]4CC[C@@H](C)[C@@](O)(O4)C(=O)C(=O)N4CCCC[C@H]4C(=O)O3)C[C@H]2OC)CC1
• InChI: InChI=1S/C71H118N4O20/c1-12-88-32-33-90-36-37-92-39-38-91-35-34-89-31-27-72-63(77)46-74-29-25-55(26-30-74)73-70(83)94-59-24-22-54(43-62(59)86-10)42-50(5)61-45-58(76)49(4)41-52(7)65(79)66(87-11)64(78)51(6)40-47(2)18-14-13-15-19-48(3)60(85-9)44-56-23-21-53(8)71(84,95-56)67(80)68(81)75-28-17-16-20-57(75)69(82)93-61/h13-15,18-19,41,47,49-51,53-62,65-66,76,79,84H,12,16-17,20-40,42-46H2,1-11H3,(H,72,77)(H,73,83)/b15-13+,18-14-,48-19+,52-41+/t47-,49?,50-,51-,53-,54+,56+,57+,58-,59?,60+,61+,62-,65-,66+,71-/m1/s1
• InChIKey: UTSGECRIDFEZRN-DTKMXGFRSA-N
• XLogP: 6.39
• TPSA: 295.18 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 26
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1347.73
LogP ≤ 5	6.39
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-2-methoxy-4-[(2R)-2-[(1R,9S,12S,14R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,14,18-trihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,20-tetraoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]cyclohexyl] N-[1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperidin-4-yl]carbamate?

The IUPAC name of [(2R,4S)-2-methoxy-4-[(2R)-2-[(1R,9S,12S,14R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,14,18-trihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,20-tetraoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]cyclohexyl] N-[1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperidin-4-yl]carbamate (CID 164793396) is [(2R,4S)-2-methoxy-4-[(2R)-2-[(1R,9S,12S,14R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,14,18-trihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,20-tetraoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]cyclohexyl] N-[1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperidin-4-yl]carbamate.

What is the SMILES notation for [(2R,4S)-2-methoxy-4-[(2R)-2-[(1R,9S,12S,14R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,14,18-trihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,20-tetraoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]cyclohexyl] N-[1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperidin-4-yl]carbamate?

The canonical SMILES for [(2R,4S)-2-methoxy-4-[(2R)-2-[(1R,9S,12S,14R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,14,18-trihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,20-tetraoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]cyclohexyl] N-[1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperidin-4-yl]carbamate is CCOCCOCCOCCOCCOCCNC(=O)CN1CCC(NC(=O)OC2CC[C@@H](C[C@@H](C)[C@@H]3C[C@@H](O)C(C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C\C=C\C=C(/C)[C@@H](OC)C[C@@H]4CC[C@@H](C)[C@@](O)(O4)C(=O)C(=O)N4CCCC[C@H]4C(=O)O3)C[C@H]2OC)CC1.

What is the InChIKey of [(2R,4S)-2-methoxy-4-[(2R)-2-[(1R,9S,12S,14R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,14,18-trihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,20-tetraoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]cyclohexyl] N-[1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperidin-4-yl]carbamate?

The InChIKey is UTSGECRIDFEZRN-DTKMXGFRSA-N. The full InChI is InChI=1S/C71H118N4O20/c1-12-88-32-33-90-36-37-92-39-38-91-35-34-89-31-27-72-63(77)46-74-29-25-55(26-30-74)73-70(83)94-59-24-22-54(43-62(59)86-10)42-50(5)61-45-58(76)49(4)41-52(7)65(79)66(87-11)64(78)51(6)40-47(2)18-14-13-15-19-48(3)60(85-9)44-56-23-21-53(8)71(84,95-56)67(80)68(81)75-28-17-16-20-57(75)69(82)93-61/h13-15,18-19,41,47,49-51,53-62,65-66,76,79,84H,12,16-17,20-40,42-46H2,1-11H3,(H,72,77)(H,73,83)/b15-13+,18-14-,48-19+,52-41+/t47-,49?,50-,51-,53-,54+,56+,57+,58-,59?,60+,61+,62-,65-,66+,71-/m1/s1.

What are the key properties of [(2R,4S)-2-methoxy-4-[(2R)-2-[(1R,9S,12S,14R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,14,18-trihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,20-tetraoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]cyclohexyl] N-[1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperidin-4-yl]carbamate?

[(2R,4S)-2-methoxy-4-[(2R)-2-[(1R,9S,12S,14R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,14,18-trihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,20-tetraoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]cyclohexyl] N-[1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperidin-4-yl]carbamate has a molecular weight of 1347.73 g/mol, XLogP of 6.39, 26 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,4S)-2-methoxy-4-[(2R)-2-[(1R,9S,12S,14R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,14,18-trihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,20-tetraoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]cyclohexyl] N-[1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 164793396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).