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

C34H66N4O8 — CID 167098120

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

(6R,8R,9R,10R,13R)-3-[1-[(2R)-2-amino-3-hydroxypropyl]piperidin-4-yl]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-hydroxy-8-methoxy-4,6,8,10,12,12-hexamethyl-1-oxa-4-azacyclotridecan-11-one (PubChem CID 167098120) has the molecular formula C34H66N4O8 and a molecular weight of 658.92 g/mol. Its IUPAC name is (6R,8R,9R,10R,13R)-3-[1-[(2R)-2-amino-3-hydroxypropyl]piperidin-4-yl]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-hydroxy-8-methoxy-4,6,8,10,12,12-hexamethyl-1-oxa-4-azacyclotridecan-11-one.

Molecular Properties

• Compound Name: (6R,8R,9R,10R,13R)-3-[1-[(2R)-2-amino-3-hydroxypropyl]piperidin-4-yl]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-hydroxy-8-methoxy-4,6,8,10,12,12-hexamethyl-1-oxa-4-azacyclotridecan-11-one
• PubChem CID: 167098120
• Molecular Formula: C34H66N4O8
• Molecular Weight: 658.92 g/mol
• Exact Mass: 658.49
• IUPAC Name: (6R,8R,9R,10R,13R)-3-[1-[(2R)-2-amino-3-hydroxypropyl]piperidin-4-yl]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-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(C2CCN(C[C@@H](N)CO)CC2)CO[C@@H](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/C34H66N4O8/c1-21-16-34(6,43-10)30(46-31-28(40)26(36(7)8)15-22(2)45-31)23(3)29(41)33(4,5)32(42)44-20-27(37(9)17-21)24-11-13-38(14-12-24)18-25(35)19-39/h21-28,30-32,39-40,42H,11-20,35H2,1-10H3/t21-,22-,23+,25-,26+,27?,28-,30-,31+,32-,34-/m1/s1
• InChIKey: VQHBJAUTCOLCDY-NAGMIWKWSA-N
• XLogP: 1.14
• TPSA: 150.42 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	658.92
LogP ≤ 5	1.14
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of (6R,8R,9R,10R,13R)-3-[1-[(2R)-2-amino-3-hydroxypropyl]piperidin-4-yl]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-hydroxy-8-methoxy-4,6,8,10,12,12-hexamethyl-1-oxa-4-azacyclotridecan-11-one (CID 167098120) is (6R,8R,9R,10R,13R)-3-[1-[(2R)-2-amino-3-hydroxypropyl]piperidin-4-yl]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-hydroxy-8-methoxy-4,6,8,10,12,12-hexamethyl-1-oxa-4-azacyclotridecan-11-one.

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

The canonical SMILES for (6R,8R,9R,10R,13R)-3-[1-[(2R)-2-amino-3-hydroxypropyl]piperidin-4-yl]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-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(C2CCN(C[C@@H](N)CO)CC2)CO[C@@H](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,13R)-3-[1-[(2R)-2-amino-3-hydroxypropyl]piperidin-4-yl]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-hydroxy-8-methoxy-4,6,8,10,12,12-hexamethyl-1-oxa-4-azacyclotridecan-11-one?

The InChIKey is VQHBJAUTCOLCDY-NAGMIWKWSA-N. The full InChI is InChI=1S/C34H66N4O8/c1-21-16-34(6,43-10)30(46-31-28(40)26(36(7)8)15-22(2)45-31)23(3)29(41)33(4,5)32(42)44-20-27(37(9)17-21)24-11-13-38(14-12-24)18-25(35)19-39/h21-28,30-32,39-40,42H,11-20,35H2,1-10H3/t21-,22-,23+,25-,26+,27?,28-,30-,31+,32-,34-/m1/s1.

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

(6R,8R,9R,10R,13R)-3-[1-[(2R)-2-amino-3-hydroxypropyl]piperidin-4-yl]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-hydroxy-8-methoxy-4,6,8,10,12,12-hexamethyl-1-oxa-4-azacyclotridecan-11-one has a molecular weight of 658.92 g/mol, XLogP of 1.14, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (6R,8R,9R,10R,13R)-3-[1-[(2R)-2-amino-3-hydroxypropyl]piperidin-4-yl]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-hydroxy-8-methoxy-4,6,8,10,12,12-hexamethyl-1-oxa-4-azacyclotridecan-11-one is sourced from PubChem (CID 167098120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).