(6R,8R,9R,10R)-9-[[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]methyl]-3-[1-[4-[ethyl(methyl)amino]butanoyl]azetidin-3-yl]-8-methoxy-4,6,8,10,12,12-hexamethyl-1-oxa-4-azacyclotridecane-11,13-dione

C37H68N4O7 — CID 170608402

About (6R,8R,9R,10R)-9-[[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]methyl]-3-[1-[4-[ethyl(methyl)amino]butanoyl]azetidin-3-yl]-8-methoxy-4,6,8,10,12,12-hexamethyl-1-oxa-4-azacyclotridecane-11,13-dione

(6R,8R,9R,10R)-9-[[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]methyl]-3-[1-[4-[ethyl(methyl)amino]butanoyl]azetidin-3-yl]-8-methoxy-4,6,8,10,12,12-hexamethyl-1-oxa-4-azacyclotridecane-11,13-dione (PubChem CID 170608402) has the molecular formula C37H68N4O7 and a molecular weight of 680.97 g/mol. Its IUPAC name is (6R,8R,9R,10R)-9-[[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]methyl]-3-[1-[4-[ethyl(methyl)amino]butanoyl]azetidin-3-yl]-8-methoxy-4,6,8,10,12,12-hexamethyl-1-oxa-4-azacyclotridecane-11,13-dione.

Molecular Properties

• Compound Name: (6R,8R,9R,10R)-9-[[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]methyl]-3-[1-[4-[ethyl(methyl)amino]butanoyl]azetidin-3-yl]-8-methoxy-4,6,8,10,12,12-hexamethyl-1-oxa-4-azacyclotridecane-11,13-dione
• PubChem CID: 170608402
• Molecular Formula: C37H68N4O7
• Molecular Weight: 680.97 g/mol
• Exact Mass: 680.51
• IUPAC Name: (6R,8R,9R,10R)-9-[[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]methyl]-3-[1-[4-[ethyl(methyl)amino]butanoyl]azetidin-3-yl]-8-methoxy-4,6,8,10,12,12-hexamethyl-1-oxa-4-azacyclotridecane-11,13-dione
• SMILES: CCN(C)CCCC(=O)N1CC(C2COC(=O)C(C)(C)C(=O)[C@H](C)[C@@H](CC3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@](C)(OC)C[C@@H](C)CN2C)C1
• InChI: InChI=1S/C37H68N4O7/c1-13-39(10)16-14-15-32(42)41-21-27(22-41)30-23-47-35(45)36(5,6)34(44)26(4)28(37(7,46-12)19-24(2)20-40(30)11)18-31-33(43)29(38(8)9)17-25(3)48-31/h24-31,33,43H,13-23H2,1-12H3/t24-,25-,26-,28-,29+,30?,31?,33-,37-/m1/s1
• InChIKey: IJDWBCLXAWRCFI-UKLPQGAXSA-N
• XLogP: 3.17
• TPSA: 112.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	680.97
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

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)-9-[[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]methyl]-3-[1-[4-[ethyl(methyl)amino]butanoyl]azetidin-3-yl]-8-methoxy-4,6,8,10,12,12-hexamethyl-1-oxa-4-azacyclotridecane-11,13-dione?

The IUPAC name of (6R,8R,9R,10R)-9-[[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]methyl]-3-[1-[4-[ethyl(methyl)amino]butanoyl]azetidin-3-yl]-8-methoxy-4,6,8,10,12,12-hexamethyl-1-oxa-4-azacyclotridecane-11,13-dione (CID 170608402) is (6R,8R,9R,10R)-9-[[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]methyl]-3-[1-[4-[ethyl(methyl)amino]butanoyl]azetidin-3-yl]-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)-9-[[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]methyl]-3-[1-[4-[ethyl(methyl)amino]butanoyl]azetidin-3-yl]-8-methoxy-4,6,8,10,12,12-hexamethyl-1-oxa-4-azacyclotridecane-11,13-dione?

The canonical SMILES for (6R,8R,9R,10R)-9-[[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]methyl]-3-[1-[4-[ethyl(methyl)amino]butanoyl]azetidin-3-yl]-8-methoxy-4,6,8,10,12,12-hexamethyl-1-oxa-4-azacyclotridecane-11,13-dione is CCN(C)CCCC(=O)N1CC(C2COC(=O)C(C)(C)C(=O)[C@H](C)[C@@H](CC3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@](C)(OC)C[C@@H](C)CN2C)C1.

What is the InChIKey of (6R,8R,9R,10R)-9-[[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]methyl]-3-[1-[4-[ethyl(methyl)amino]butanoyl]azetidin-3-yl]-8-methoxy-4,6,8,10,12,12-hexamethyl-1-oxa-4-azacyclotridecane-11,13-dione?

The InChIKey is IJDWBCLXAWRCFI-UKLPQGAXSA-N. The full InChI is InChI=1S/C37H68N4O7/c1-13-39(10)16-14-15-32(42)41-21-27(22-41)30-23-47-35(45)36(5,6)34(44)26(4)28(37(7,46-12)19-24(2)20-40(30)11)18-31-33(43)29(38(8)9)17-25(3)48-31/h24-31,33,43H,13-23H2,1-12H3/t24-,25-,26-,28-,29+,30?,31?,33-,37-/m1/s1.

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

(6R,8R,9R,10R)-9-[[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]methyl]-3-[1-[4-[ethyl(methyl)amino]butanoyl]azetidin-3-yl]-8-methoxy-4,6,8,10,12,12-hexamethyl-1-oxa-4-azacyclotridecane-11,13-dione has a molecular weight of 680.97 g/mol, XLogP of 3.17, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (6R,8R,9R,10R)-9-[[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]methyl]-3-[1-[4-[ethyl(methyl)amino]butanoyl]azetidin-3-yl]-8-methoxy-4,6,8,10,12,12-hexamethyl-1-oxa-4-azacyclotridecane-11,13-dione is sourced from PubChem (CID 170608402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).