(3R,6R,8R,9R,10R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-[1-(2,2-dimethylpropyl)azetidin-3-yl]-13-hydroxy-8-methoxy-4,6,8,10,12,12-hexamethyl-1-oxa-4-azacyclotridecan-11-one

C34H65N3O7 — CID 167097795

About (3R,6R,8R,9R,10R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-[1-(2,2-dimethylpropyl)azetidin-3-yl]-13-hydroxy-8-methoxy-4,6,8,10,12,12-hexamethyl-1-oxa-4-azacyclotridecan-11-one

(3R,6R,8R,9R,10R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-[1-(2,2-dimethylpropyl)azetidin-3-yl]-13-hydroxy-8-methoxy-4,6,8,10,12,12-hexamethyl-1-oxa-4-azacyclotridecan-11-one (PubChem CID 167097795) has the molecular formula C34H65N3O7 and a molecular weight of 627.91 g/mol. Its IUPAC name is (3R,6R,8R,9R,10R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-[1-(2,2-dimethylpropyl)azetidin-3-yl]-13-hydroxy-8-methoxy-4,6,8,10,12,12-hexamethyl-1-oxa-4-azacyclotridecan-11-one.

Molecular Properties

• Compound Name: (3R,6R,8R,9R,10R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-[1-(2,2-dimethylpropyl)azetidin-3-yl]-13-hydroxy-8-methoxy-4,6,8,10,12,12-hexamethyl-1-oxa-4-azacyclotridecan-11-one
• PubChem CID: 167097795
• Molecular Formula: C34H65N3O7
• Molecular Weight: 627.91 g/mol
• Exact Mass: 627.48
• IUPAC Name: (3R,6R,8R,9R,10R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-[1-(2,2-dimethylpropyl)azetidin-3-yl]-13-hydroxy-8-methoxy-4,6,8,10,12,12-hexamethyl-1-oxa-4-azacyclotridecan-11-one
• SMILES: CO[C@]1(C)C[C@@H](C)CN(C)[C@H](C2CN(CC(C)(C)C)C2)COC(O)C(C)(C)C(=O)[C@H](C)[C@H]1O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O
• InChI: InChI=1S/C34H65N3O7/c1-21-15-34(9,41-13)29(44-30-27(38)25(35(10)11)14-22(2)43-30)23(3)28(39)33(7,8)31(40)42-19-26(36(12)16-21)24-17-37(18-24)20-32(4,5)6/h21-27,29-31,38,40H,14-20H2,1-13H3/t21-,22-,23+,25+,26+,27-,29-,30+,31?,34-/m1/s1
• InChIKey: ABOZFUOXTWICSO-OZPJUYJOSA-N
• XLogP: 3.09
• TPSA: 104.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	627.91
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (3R,6R,8R,9R,10R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-[1-(2,2-dimethylpropyl)azetidin-3-yl]-13-hydroxy-8-methoxy-4,6,8,10,12,12-hexamethyl-1-oxa-4-azacyclotridecan-11-one?

The IUPAC name of (3R,6R,8R,9R,10R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-[1-(2,2-dimethylpropyl)azetidin-3-yl]-13-hydroxy-8-methoxy-4,6,8,10,12,12-hexamethyl-1-oxa-4-azacyclotridecan-11-one (CID 167097795) is (3R,6R,8R,9R,10R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-[1-(2,2-dimethylpropyl)azetidin-3-yl]-13-hydroxy-8-methoxy-4,6,8,10,12,12-hexamethyl-1-oxa-4-azacyclotridecan-11-one.

What is the SMILES notation for (3R,6R,8R,9R,10R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-[1-(2,2-dimethylpropyl)azetidin-3-yl]-13-hydroxy-8-methoxy-4,6,8,10,12,12-hexamethyl-1-oxa-4-azacyclotridecan-11-one?

The canonical SMILES for (3R,6R,8R,9R,10R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-[1-(2,2-dimethylpropyl)azetidin-3-yl]-13-hydroxy-8-methoxy-4,6,8,10,12,12-hexamethyl-1-oxa-4-azacyclotridecan-11-one is CO[C@]1(C)C[C@@H](C)CN(C)[C@H](C2CN(CC(C)(C)C)C2)COC(O)C(C)(C)C(=O)[C@H](C)[C@H]1O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O.

What is the InChIKey of (3R,6R,8R,9R,10R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-[1-(2,2-dimethylpropyl)azetidin-3-yl]-13-hydroxy-8-methoxy-4,6,8,10,12,12-hexamethyl-1-oxa-4-azacyclotridecan-11-one?

The InChIKey is ABOZFUOXTWICSO-OZPJUYJOSA-N. The full InChI is InChI=1S/C34H65N3O7/c1-21-15-34(9,41-13)29(44-30-27(38)25(35(10)11)14-22(2)43-30)23(3)28(39)33(7,8)31(40)42-19-26(36(12)16-21)24-17-37(18-24)20-32(4,5)6/h21-27,29-31,38,40H,14-20H2,1-13H3/t21-,22-,23+,25+,26+,27-,29-,30+,31?,34-/m1/s1.

What are the key properties of (3R,6R,8R,9R,10R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-[1-(2,2-dimethylpropyl)azetidin-3-yl]-13-hydroxy-8-methoxy-4,6,8,10,12,12-hexamethyl-1-oxa-4-azacyclotridecan-11-one?

(3R,6R,8R,9R,10R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-[1-(2,2-dimethylpropyl)azetidin-3-yl]-13-hydroxy-8-methoxy-4,6,8,10,12,12-hexamethyl-1-oxa-4-azacyclotridecan-11-one has a molecular weight of 627.91 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,6R,8R,9R,10R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-[1-(2,2-dimethylpropyl)azetidin-3-yl]-13-hydroxy-8-methoxy-4,6,8,10,12,12-hexamethyl-1-oxa-4-azacyclotridecan-11-one is sourced from PubChem (CID 167097795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).