(1R,2S,3R,6R,8R,9R,10R,12R,15R)-9-[4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,12,15-hexamethyl-4,19-dioxa-14,16-diazabicyclo[8.5.4]nonadecane-5,7-dione;(1R,2S,3R,6R,8R,9R,10R,12R,15R)-9-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,12,15-hexamethyl-4,19-dioxa-14,16-diazabicyclo[8.5.4]nonadecane-5,7-dione;methanol

C64H120N6O16 — CID 167611526

About (1R,2S,3R,6R,8R,9R,10R,12R,15R)-9-[4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,12,15-hexamethyl-4,19-dioxa-14,16-diazabicyclo[8.5.4]nonadecane-5,7-dione;(1R,2S,3R,6R,8R,9R,10R,12R,15R)-9-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,12,15-hexamethyl-4,19-dioxa-14,16-diazabicyclo[8.5.4]nonadecane-5,7-dione;methanol

(1R,2S,3R,6R,8R,9R,10R,12R,15R)-9-[4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,12,15-hexamethyl-4,19-dioxa-14,16-diazabicyclo[8.5.4]nonadecane-5,7-dione;(1R,2S,3R,6R,8R,9R,10R,12R,15R)-9-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,12,15-hexamethyl-4,19-dioxa-14,16-diazabicyclo[8.5.4]nonadecane-5,7-dione;methanol (PubChem CID 167611526) has the molecular formula C64H120N6O16 and a molecular weight of 1229.69 g/mol. Its IUPAC name is (1R,2S,3R,6R,8R,9R,10R,12R,15R)-9-[4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,12,15-hexamethyl-4,19-dioxa-14,16-diazabicyclo[8.5.4]nonadecane-5,7-dione;(1R,2S,3R,6R,8R,9R,10R,12R,15R)-9-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,12,15-hexamethyl-4,19-dioxa-14,16-diazabicyclo[8.5.4]nonadecane-5,7-dione;methanol.

Molecular Properties

• Compound Name: (1R,2S,3R,6R,8R,9R,10R,12R,15R)-9-[4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,12,15-hexamethyl-4,19-dioxa-14,16-diazabicyclo[8.5.4]nonadecane-5,7-dione;(1R,2S,3R,6R,8R,9R,10R,12R,15R)-9-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,12,15-hexamethyl-4,19-dioxa-14,16-diazabicyclo[8.5.4]nonadecane-5,7-dione;methanol
• PubChem CID: 167611526
• Molecular Formula: C64H120N6O16
• Molecular Weight: 1229.69 g/mol
• Exact Mass: 1228.88
• IUPAC Name: (1R,2S,3R,6R,8R,9R,10R,12R,15R)-9-[4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,12,15-hexamethyl-4,19-dioxa-14,16-diazabicyclo[8.5.4]nonadecane-5,7-dione;(1R,2S,3R,6R,8R,9R,10R,12R,15R)-9-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,12,15-hexamethyl-4,19-dioxa-14,16-diazabicyclo[8.5.4]nonadecane-5,7-dione;methanol
• SMILES: CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](OC2OC(C)CC(N(C)C)C2C)[C@@]2(C)C[C@@H](C)CN[C@H](C)[C@@H](NCCO2)[C@]1(C)O.CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](OC2OC(C)CC(N(C)C)C2O)[C@@]2(C)C[C@@H](C)CN[C@H](C)[C@@H](NCCO2)[C@]1(C)O.CO
• InChI: InChI=1S/C32H59N3O7.C31H57N3O8.CH4O/c1-12-25-32(9,38)27-23(7)34-17-18(2)16-31(8,39-14-13-33-27)28(21(5)26(36)22(6)29(37)41-25)42-30-20(4)24(35(10)11)15-19(3)40-30;1-11-23-31(8,38)26-21(6)33-16-17(2)15-30(7,39-13-12-32-26)27(19(4)24(35)20(5)28(37)41-23)42-29-25(36)22(34(9)10)14-18(3)40-29;1-2/h18-25,27-28,30,33-34,38H,12-17H2,1-11H3;17-23,25-27,29,32-33,36,38H,11-16H2,1-10H3;2H,1H3/t18-,19?,20?,21+,22-,23-,24?,25-,27-,28-,30?,31-,32-;17-,18?,19+,20-,21-,22?,23-,25?,26-,27-,29?,30-,31-;/m11./s1
• InChIKey: LCVMXTKNZBWGRW-BQFFWHJFSA-N
• XLogP: 3.84
• TPSA: 277.64 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 8
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1229.69
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,6R,8R,9R,10R,12R,15R)-9-[4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,12,15-hexamethyl-4,19-dioxa-14,16-diazabicyclo[8.5.4]nonadecane-5,7-dione;(1R,2S,3R,6R,8R,9R,10R,12R,15R)-9-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,12,15-hexamethyl-4,19-dioxa-14,16-diazabicyclo[8.5.4]nonadecane-5,7-dione;methanol?

The IUPAC name of (1R,2S,3R,6R,8R,9R,10R,12R,15R)-9-[4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,12,15-hexamethyl-4,19-dioxa-14,16-diazabicyclo[8.5.4]nonadecane-5,7-dione;(1R,2S,3R,6R,8R,9R,10R,12R,15R)-9-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,12,15-hexamethyl-4,19-dioxa-14,16-diazabicyclo[8.5.4]nonadecane-5,7-dione;methanol (CID 167611526) is (1R,2S,3R,6R,8R,9R,10R,12R,15R)-9-[4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,12,15-hexamethyl-4,19-dioxa-14,16-diazabicyclo[8.5.4]nonadecane-5,7-dione;(1R,2S,3R,6R,8R,9R,10R,12R,15R)-9-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,12,15-hexamethyl-4,19-dioxa-14,16-diazabicyclo[8.5.4]nonadecane-5,7-dione;methanol.

What is the SMILES notation for (1R,2S,3R,6R,8R,9R,10R,12R,15R)-9-[4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,12,15-hexamethyl-4,19-dioxa-14,16-diazabicyclo[8.5.4]nonadecane-5,7-dione;(1R,2S,3R,6R,8R,9R,10R,12R,15R)-9-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,12,15-hexamethyl-4,19-dioxa-14,16-diazabicyclo[8.5.4]nonadecane-5,7-dione;methanol?

The canonical SMILES for (1R,2S,3R,6R,8R,9R,10R,12R,15R)-9-[4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,12,15-hexamethyl-4,19-dioxa-14,16-diazabicyclo[8.5.4]nonadecane-5,7-dione;(1R,2S,3R,6R,8R,9R,10R,12R,15R)-9-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,12,15-hexamethyl-4,19-dioxa-14,16-diazabicyclo[8.5.4]nonadecane-5,7-dione;methanol is CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](OC2OC(C)CC(N(C)C)C2C)[C@@]2(C)C[C@@H](C)CN[C@H](C)[C@@H](NCCO2)[C@]1(C)O.CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](OC2OC(C)CC(N(C)C)C2O)[C@@]2(C)C[C@@H](C)CN[C@H](C)[C@@H](NCCO2)[C@]1(C)O.CO.

What is the InChIKey of (1R,2S,3R,6R,8R,9R,10R,12R,15R)-9-[4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,12,15-hexamethyl-4,19-dioxa-14,16-diazabicyclo[8.5.4]nonadecane-5,7-dione;(1R,2S,3R,6R,8R,9R,10R,12R,15R)-9-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,12,15-hexamethyl-4,19-dioxa-14,16-diazabicyclo[8.5.4]nonadecane-5,7-dione;methanol?

The InChIKey is LCVMXTKNZBWGRW-BQFFWHJFSA-N. The full InChI is InChI=1S/C32H59N3O7.C31H57N3O8.CH4O/c1-12-25-32(9,38)27-23(7)34-17-18(2)16-31(8,39-14-13-33-27)28(21(5)26(36)22(6)29(37)41-25)42-30-20(4)24(35(10)11)15-19(3)40-30;1-11-23-31(8,38)26-21(6)33-16-17(2)15-30(7,39-13-12-32-26)27(19(4)24(35)20(5)28(37)41-23)42-29-25(36)22(34(9)10)14-18(3)40-29;1-2/h18-25,27-28,30,33-34,38H,12-17H2,1-11H3;17-23,25-27,29,32-33,36,38H,11-16H2,1-10H3;2H,1H3/t18-,19?,20?,21+,22-,23-,24?,25-,27-,28-,30?,31-,32-;17-,18?,19+,20-,21-,22?,23-,25?,26-,27-,29?,30-,31-;/m11./s1.

What are the key properties of (1R,2S,3R,6R,8R,9R,10R,12R,15R)-9-[4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,12,15-hexamethyl-4,19-dioxa-14,16-diazabicyclo[8.5.4]nonadecane-5,7-dione;(1R,2S,3R,6R,8R,9R,10R,12R,15R)-9-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,12,15-hexamethyl-4,19-dioxa-14,16-diazabicyclo[8.5.4]nonadecane-5,7-dione;methanol?

(1R,2S,3R,6R,8R,9R,10R,12R,15R)-9-[4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,12,15-hexamethyl-4,19-dioxa-14,16-diazabicyclo[8.5.4]nonadecane-5,7-dione;(1R,2S,3R,6R,8R,9R,10R,12R,15R)-9-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,12,15-hexamethyl-4,19-dioxa-14,16-diazabicyclo[8.5.4]nonadecane-5,7-dione;methanol has a molecular weight of 1229.69 g/mol, XLogP of 3.84, 8 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2S,3R,6R,8R,9R,10R,12R,15R)-9-[4-(dimethylamino)-3,6-dimethyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,12,15-hexamethyl-4,19-dioxa-14,16-diazabicyclo[8.5.4]nonadecane-5,7-dione;(1R,2S,3R,6R,8R,9R,10R,12R,15R)-9-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,12,15-hexamethyl-4,19-dioxa-14,16-diazabicyclo[8.5.4]nonadecane-5,7-dione;methanol is sourced from PubChem (CID 167611526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).