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

C35H65N3O10 — CID 153311417

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

(7R,8S,9S,10R,11R,13R)-11-hydroxy-8-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-10-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl(propyl)amino]oxan-2-yl]oxy-1,7,9,11,13-pentamethyl-1,5-diazacyclotetradecane-2,6-dione (PubChem CID 153311417) has the molecular formula C35H65N3O10 and a molecular weight of 687.92 g/mol. Its IUPAC name is (7R,8S,9S,10R,11R,13R)-11-hydroxy-8-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-10-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl(propyl)amino]oxan-2-yl]oxy-1,7,9,11,13-pentamethyl-1,5-diazacyclotetradecane-2,6-dione.

Molecular Properties

• Compound Name: (7R,8S,9S,10R,11R,13R)-11-hydroxy-8-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-10-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl(propyl)amino]oxan-2-yl]oxy-1,7,9,11,13-pentamethyl-1,5-diazacyclotetradecane-2,6-dione
• PubChem CID: 153311417
• Molecular Formula: C35H65N3O10
• Molecular Weight: 687.92 g/mol
• Exact Mass: 687.47
• IUPAC Name: (7R,8S,9S,10R,11R,13R)-11-hydroxy-8-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-10-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl(propyl)amino]oxan-2-yl]oxy-1,7,9,11,13-pentamethyl-1,5-diazacyclotetradecane-2,6-dione
• SMILES: CCCN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)NCCC(=O)N(C)C[C@H](C)C[C@@]2(C)O)[C@@H]1O
• InChI: InChI=1S/C35H65N3O10/c1-12-15-37(9)25-16-21(3)45-33(28(25)40)48-31-22(4)29(47-27-18-35(8,44-11)30(41)24(6)46-27)23(5)32(42)36-14-13-26(39)38(10)19-20(2)17-34(31,7)43/h20-25,27-31,33,40-41,43H,12-19H2,1-11H3,(H,36,42)/t20-,21-,22+,23-,24+,25+,27+,28-,29+,30+,31-,33+,34-,35-/m1/s1
• InChIKey: RDFXAXVFQPYRJA-YQHWFOFASA-N
• XLogP: 1.89
• TPSA: 159.49 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	687.92
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of (7R,8S,9S,10R,11R,13R)-11-hydroxy-8-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-10-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl(propyl)amino]oxan-2-yl]oxy-1,7,9,11,13-pentamethyl-1,5-diazacyclotetradecane-2,6-dione (CID 153311417) is (7R,8S,9S,10R,11R,13R)-11-hydroxy-8-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-10-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl(propyl)amino]oxan-2-yl]oxy-1,7,9,11,13-pentamethyl-1,5-diazacyclotetradecane-2,6-dione.

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

The canonical SMILES for (7R,8S,9S,10R,11R,13R)-11-hydroxy-8-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-10-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl(propyl)amino]oxan-2-yl]oxy-1,7,9,11,13-pentamethyl-1,5-diazacyclotetradecane-2,6-dione is CCCN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)NCCC(=O)N(C)C[C@H](C)C[C@@]2(C)O)[C@@H]1O.

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

The InChIKey is RDFXAXVFQPYRJA-YQHWFOFASA-N. The full InChI is InChI=1S/C35H65N3O10/c1-12-15-37(9)25-16-21(3)45-33(28(25)40)48-31-22(4)29(47-27-18-35(8,44-11)30(41)24(6)46-27)23(5)32(42)36-14-13-26(39)38(10)19-20(2)17-34(31,7)43/h20-25,27-31,33,40-41,43H,12-19H2,1-11H3,(H,36,42)/t20-,21-,22+,23-,24+,25+,27+,28-,29+,30+,31-,33+,34-,35-/m1/s1.

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

(7R,8S,9S,10R,11R,13R)-11-hydroxy-8-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-10-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl(propyl)amino]oxan-2-yl]oxy-1,7,9,11,13-pentamethyl-1,5-diazacyclotetradecane-2,6-dione has a molecular weight of 687.92 g/mol, XLogP of 1.89, 8 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (7R,8S,9S,10R,11R,13R)-11-hydroxy-8-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-10-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl(propyl)amino]oxan-2-yl]oxy-1,7,9,11,13-pentamethyl-1,5-diazacyclotetradecane-2,6-dione is sourced from PubChem (CID 153311417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).