(7R,8S,9S,10R,11R,13R)-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-[(2R,4R,6S)-5-[(dimethylamino)methyl]-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-11-hydroxy-1,7,9,11,13-pentamethyl-1,5-diazacyclotetradecane-2,6-dione

C36H68N4O10 — CID 156560850

About (7R,8S,9S,10R,11R,13R)-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-[(2R,4R,6S)-5-[(dimethylamino)methyl]-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-11-hydroxy-1,7,9,11,13-pentamethyl-1,5-diazacyclotetradecane-2,6-dione

(7R,8S,9S,10R,11R,13R)-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-[(2R,4R,6S)-5-[(dimethylamino)methyl]-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-11-hydroxy-1,7,9,11,13-pentamethyl-1,5-diazacyclotetradecane-2,6-dione (PubChem CID 156560850) has the molecular formula C36H68N4O10 and a molecular weight of 716.96 g/mol. Its IUPAC name is (7R,8S,9S,10R,11R,13R)-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-[(2R,4R,6S)-5-[(dimethylamino)methyl]-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-11-hydroxy-1,7,9,11,13-pentamethyl-1,5-diazacyclotetradecane-2,6-dione.

Molecular Properties

• Compound Name: (7R,8S,9S,10R,11R,13R)-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-[(2R,4R,6S)-5-[(dimethylamino)methyl]-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-11-hydroxy-1,7,9,11,13-pentamethyl-1,5-diazacyclotetradecane-2,6-dione
• PubChem CID: 156560850
• Molecular Formula: C36H68N4O10
• Molecular Weight: 716.96 g/mol
• Exact Mass: 716.49
• IUPAC Name: (7R,8S,9S,10R,11R,13R)-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-[(2R,4R,6S)-5-[(dimethylamino)methyl]-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-11-hydroxy-1,7,9,11,13-pentamethyl-1,5-diazacyclotetradecane-2,6-dione
• SMILES: CO[C@]1(C)C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@](C)(O)C[C@@H](C)CN(C)C(=O)CCNC(=O)[C@@H]2C)O[C@@H](C)C1(O)CN(C)C
• InChI: InChI=1S/C36H68N4O10/c1-21-17-34(6,44)31(50-33-29(42)26(39(10)11)16-22(2)47-33)23(3)30(24(4)32(43)37-15-14-27(41)40(12)19-21)49-28-18-35(7,46-13)36(45,20-38(8)9)25(5)48-28/h21-26,28-31,33,42,44-45H,14-20H2,1-13H3,(H,37,43)/t21-,22-,23+,24-,25+,26+,28+,29-,30+,31-,33+,34-,35-,36?/m1/s1
• InChIKey: DISQMLRGUCUFPH-AOLSJEPLSA-N
• XLogP: 1.04
• TPSA: 162.73 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	716.96
LogP ≤ 5	1.04
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of (7R,8S,9S,10R,11R,13R)-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-[(2R,4R,6S)-5-[(dimethylamino)methyl]-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-11-hydroxy-1,7,9,11,13-pentamethyl-1,5-diazacyclotetradecane-2,6-dione?

The IUPAC name of (7R,8S,9S,10R,11R,13R)-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-[(2R,4R,6S)-5-[(dimethylamino)methyl]-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-11-hydroxy-1,7,9,11,13-pentamethyl-1,5-diazacyclotetradecane-2,6-dione (CID 156560850) is (7R,8S,9S,10R,11R,13R)-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-[(2R,4R,6S)-5-[(dimethylamino)methyl]-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-11-hydroxy-1,7,9,11,13-pentamethyl-1,5-diazacyclotetradecane-2,6-dione.

What is the SMILES notation for (7R,8S,9S,10R,11R,13R)-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-[(2R,4R,6S)-5-[(dimethylamino)methyl]-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-11-hydroxy-1,7,9,11,13-pentamethyl-1,5-diazacyclotetradecane-2,6-dione?

The canonical SMILES for (7R,8S,9S,10R,11R,13R)-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-[(2R,4R,6S)-5-[(dimethylamino)methyl]-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-11-hydroxy-1,7,9,11,13-pentamethyl-1,5-diazacyclotetradecane-2,6-dione is CO[C@]1(C)C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@](C)(O)C[C@@H](C)CN(C)C(=O)CCNC(=O)[C@@H]2C)O[C@@H](C)C1(O)CN(C)C.

What is the InChIKey of (7R,8S,9S,10R,11R,13R)-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-[(2R,4R,6S)-5-[(dimethylamino)methyl]-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-11-hydroxy-1,7,9,11,13-pentamethyl-1,5-diazacyclotetradecane-2,6-dione?

The InChIKey is DISQMLRGUCUFPH-AOLSJEPLSA-N. The full InChI is InChI=1S/C36H68N4O10/c1-21-17-34(6,44)31(50-33-29(42)26(39(10)11)16-22(2)47-33)23(3)30(24(4)32(43)37-15-14-27(41)40(12)19-21)49-28-18-35(7,46-13)36(45,20-38(8)9)25(5)48-28/h21-26,28-31,33,42,44-45H,14-20H2,1-13H3,(H,37,43)/t21-,22-,23+,24-,25+,26+,28+,29-,30+,31-,33+,34-,35-,36?/m1/s1.

What are the key properties of (7R,8S,9S,10R,11R,13R)-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-[(2R,4R,6S)-5-[(dimethylamino)methyl]-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-11-hydroxy-1,7,9,11,13-pentamethyl-1,5-diazacyclotetradecane-2,6-dione?

(7R,8S,9S,10R,11R,13R)-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-[(2R,4R,6S)-5-[(dimethylamino)methyl]-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-11-hydroxy-1,7,9,11,13-pentamethyl-1,5-diazacyclotetradecane-2,6-dione has a molecular weight of 716.96 g/mol, XLogP of 1.04, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (7R,8S,9S,10R,11R,13R)-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-[(2R,4R,6S)-5-[(dimethylamino)methyl]-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-11-hydroxy-1,7,9,11,13-pentamethyl-1,5-diazacyclotetradecane-2,6-dione is sourced from PubChem (CID 156560850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).