(6R,8R,9R,10R)-3-[1-[(3R)-1-(cyclopropylmethyl)pyrrolidine-3-carbonyl]azetidin-3-yl]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-methoxy-4,6,8,10,12,12-hexamethyl-1-oxa-4-azacyclotridecane-11,13-dione

C38H66N4O8 — CID 167097921

About (6R,8R,9R,10R)-3-[1-[(3R)-1-(cyclopropylmethyl)pyrrolidine-3-carbonyl]azetidin-3-yl]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-methoxy-4,6,8,10,12,12-hexamethyl-1-oxa-4-azacyclotridecane-11,13-dione

(6R,8R,9R,10R)-3-[1-[(3R)-1-(cyclopropylmethyl)pyrrolidine-3-carbonyl]azetidin-3-yl]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-methoxy-4,6,8,10,12,12-hexamethyl-1-oxa-4-azacyclotridecane-11,13-dione (PubChem CID 167097921) has the molecular formula C38H66N4O8 and a molecular weight of 706.97 g/mol. Its IUPAC name is (6R,8R,9R,10R)-3-[1-[(3R)-1-(cyclopropylmethyl)pyrrolidine-3-carbonyl]azetidin-3-yl]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-methoxy-4,6,8,10,12,12-hexamethyl-1-oxa-4-azacyclotridecane-11,13-dione.

Molecular Properties

• Compound Name: (6R,8R,9R,10R)-3-[1-[(3R)-1-(cyclopropylmethyl)pyrrolidine-3-carbonyl]azetidin-3-yl]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-methoxy-4,6,8,10,12,12-hexamethyl-1-oxa-4-azacyclotridecane-11,13-dione
• PubChem CID: 167097921
• Molecular Formula: C38H66N4O8
• Molecular Weight: 706.97 g/mol
• Exact Mass: 706.49
• IUPAC Name: (6R,8R,9R,10R)-3-[1-[(3R)-1-(cyclopropylmethyl)pyrrolidine-3-carbonyl]azetidin-3-yl]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-methoxy-4,6,8,10,12,12-hexamethyl-1-oxa-4-azacyclotridecane-11,13-dione
• SMILES: CO[C@]1(C)C[C@@H](C)CN(C)C(C2CN(C(=O)[C@@H]3CCN(CC4CC4)C3)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/C38H66N4O8/c1-23-16-38(6,47-10)33(50-35-31(43)29(39(7)8)15-24(2)49-35)25(3)32(44)37(4,5)36(46)48-22-30(40(9)17-23)28-20-42(21-28)34(45)27-13-14-41(19-27)18-26-11-12-26/h23-31,33,35,43H,11-22H2,1-10H3/t23-,24-,25+,27-,29+,30?,31-,33-,35+,38-/m1/s1
• InChIKey: CIOOLMKZMVCBIQ-LHJPCVKISA-N
• XLogP: 2.51
• TPSA: 121.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	706.97
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (6R,8R,9R,10R)-3-[1-[(3R)-1-(cyclopropylmethyl)pyrrolidine-3-carbonyl]azetidin-3-yl]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-methoxy-4,6,8,10,12,12-hexamethyl-1-oxa-4-azacyclotridecane-11,13-dione (CID 167097921) is (6R,8R,9R,10R)-3-[1-[(3R)-1-(cyclopropylmethyl)pyrrolidine-3-carbonyl]azetidin-3-yl]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-methoxy-4,6,8,10,12,12-hexamethyl-1-oxa-4-azacyclotridecane-11,13-dione.

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

The canonical SMILES for (6R,8R,9R,10R)-3-[1-[(3R)-1-(cyclopropylmethyl)pyrrolidine-3-carbonyl]azetidin-3-yl]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-methoxy-4,6,8,10,12,12-hexamethyl-1-oxa-4-azacyclotridecane-11,13-dione is CO[C@]1(C)C[C@@H](C)CN(C)C(C2CN(C(=O)[C@@H]3CCN(CC4CC4)C3)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 (6R,8R,9R,10R)-3-[1-[(3R)-1-(cyclopropylmethyl)pyrrolidine-3-carbonyl]azetidin-3-yl]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-methoxy-4,6,8,10,12,12-hexamethyl-1-oxa-4-azacyclotridecane-11,13-dione?

The InChIKey is CIOOLMKZMVCBIQ-LHJPCVKISA-N. The full InChI is InChI=1S/C38H66N4O8/c1-23-16-38(6,47-10)33(50-35-31(43)29(39(7)8)15-24(2)49-35)25(3)32(44)37(4,5)36(46)48-22-30(40(9)17-23)28-20-42(21-28)34(45)27-13-14-41(19-27)18-26-11-12-26/h23-31,33,35,43H,11-22H2,1-10H3/t23-,24-,25+,27-,29+,30?,31-,33-,35+,38-/m1/s1.

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

(6R,8R,9R,10R)-3-[1-[(3R)-1-(cyclopropylmethyl)pyrrolidine-3-carbonyl]azetidin-3-yl]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-methoxy-4,6,8,10,12,12-hexamethyl-1-oxa-4-azacyclotridecane-11,13-dione has a molecular weight of 706.97 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (6R,8R,9R,10R)-3-[1-[(3R)-1-(cyclopropylmethyl)pyrrolidine-3-carbonyl]azetidin-3-yl]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-methoxy-4,6,8,10,12,12-hexamethyl-1-oxa-4-azacyclotridecane-11,13-dione is sourced from PubChem (CID 167097921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).