(2R,5S,6S,7R,9S,10R,11S,12S,13R)-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-6-hydroxy-12-[(4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-4,5,7,9,11,13-hexamethyl-2-(morpholin-4-ylmethyl)-1-oxa-4-azacyclotetradecan-14-one

C40H75N3O12 — CID 24968765

About (2R,5S,6S,7R,9S,10R,11S,12S,13R)-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-6-hydroxy-12-[(4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-4,5,7,9,11,13-hexamethyl-2-(morpholin-4-ylmethyl)-1-oxa-4-azacyclotetradecan-14-one

(2R,5S,6S,7R,9S,10R,11S,12S,13R)-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-6-hydroxy-12-[(4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-4,5,7,9,11,13-hexamethyl-2-(morpholin-4-ylmethyl)-1-oxa-4-azacyclotetradecan-14-one (PubChem CID 24968765) has the molecular formula C40H75N3O12 and a molecular weight of 790.05 g/mol. Its IUPAC name is (2R,5S,6S,7R,9S,10R,11S,12S,13R)-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-6-hydroxy-12-[(4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-4,5,7,9,11,13-hexamethyl-2-(morpholin-4-ylmethyl)-1-oxa-4-azacyclotetradecan-14-one.

Molecular Properties

• Compound Name: (2R,5S,6S,7R,9S,10R,11S,12S,13R)-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-6-hydroxy-12-[(4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-4,5,7,9,11,13-hexamethyl-2-(morpholin-4-ylmethyl)-1-oxa-4-azacyclotetradecan-14-one
• PubChem CID: 24968765
• Molecular Formula: C40H75N3O12
• Molecular Weight: 790.05 g/mol
• Exact Mass: 789.54
• IUPAC Name: (2R,5S,6S,7R,9S,10R,11S,12S,13R)-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-6-hydroxy-12-[(4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-4,5,7,9,11,13-hexamethyl-2-(morpholin-4-ylmethyl)-1-oxa-4-azacyclotetradecan-14-one
• SMILES: CO[C@]1(C)CC(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)(OC)C[C@@H](C)[C@H](O)[C@H](C)N(C)C[C@@H](CN3CCOCC3)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1O
• InChI: InChI=1S/C40H75N3O12/c1-23-19-40(8,49-13)36(55-38-33(45)30(41(9)10)18-24(2)51-38)25(3)34(54-31-20-39(7,48-12)35(46)28(6)52-31)26(4)37(47)53-29(21-42(11)27(5)32(23)44)22-43-14-16-50-17-15-43/h23-36,38,44-46H,14-22H2,1-13H3/t23-,24-,25+,26-,27+,28+,29+,30+,31?,32+,33-,34+,35+,36-,38+,39-,40+/m1/s1
• InChIKey: SUXWTRRBDWYIRB-LSNYZLIRSA-N
• XLogP: 1.73
• TPSA: 161.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	790.05
LogP ≤ 5	1.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of (2R,5S,6S,7R,9S,10R,11S,12S,13R)-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-6-hydroxy-12-[(4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-4,5,7,9,11,13-hexamethyl-2-(morpholin-4-ylmethyl)-1-oxa-4-azacyclotetradecan-14-one?

The IUPAC name of (2R,5S,6S,7R,9S,10R,11S,12S,13R)-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-6-hydroxy-12-[(4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-4,5,7,9,11,13-hexamethyl-2-(morpholin-4-ylmethyl)-1-oxa-4-azacyclotetradecan-14-one (CID 24968765) is (2R,5S,6S,7R,9S,10R,11S,12S,13R)-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-6-hydroxy-12-[(4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-4,5,7,9,11,13-hexamethyl-2-(morpholin-4-ylmethyl)-1-oxa-4-azacyclotetradecan-14-one.

What is the SMILES notation for (2R,5S,6S,7R,9S,10R,11S,12S,13R)-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-6-hydroxy-12-[(4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-4,5,7,9,11,13-hexamethyl-2-(morpholin-4-ylmethyl)-1-oxa-4-azacyclotetradecan-14-one?

The canonical SMILES for (2R,5S,6S,7R,9S,10R,11S,12S,13R)-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-6-hydroxy-12-[(4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-4,5,7,9,11,13-hexamethyl-2-(morpholin-4-ylmethyl)-1-oxa-4-azacyclotetradecan-14-one is CO[C@]1(C)CC(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)(OC)C[C@@H](C)[C@H](O)[C@H](C)N(C)C[C@@H](CN3CCOCC3)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1O.

What is the InChIKey of (2R,5S,6S,7R,9S,10R,11S,12S,13R)-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-6-hydroxy-12-[(4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-4,5,7,9,11,13-hexamethyl-2-(morpholin-4-ylmethyl)-1-oxa-4-azacyclotetradecan-14-one?

The InChIKey is SUXWTRRBDWYIRB-LSNYZLIRSA-N. The full InChI is InChI=1S/C40H75N3O12/c1-23-19-40(8,49-13)36(55-38-33(45)30(41(9)10)18-24(2)51-38)25(3)34(54-31-20-39(7,48-12)35(46)28(6)52-31)26(4)37(47)53-29(21-42(11)27(5)32(23)44)22-43-14-16-50-17-15-43/h23-36,38,44-46H,14-22H2,1-13H3/t23-,24-,25+,26-,27+,28+,29+,30+,31?,32+,33-,34+,35+,36-,38+,39-,40+/m1/s1.

What are the key properties of (2R,5S,6S,7R,9S,10R,11S,12S,13R)-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-6-hydroxy-12-[(4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-4,5,7,9,11,13-hexamethyl-2-(morpholin-4-ylmethyl)-1-oxa-4-azacyclotetradecan-14-one?

(2R,5S,6S,7R,9S,10R,11S,12S,13R)-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-6-hydroxy-12-[(4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-4,5,7,9,11,13-hexamethyl-2-(morpholin-4-ylmethyl)-1-oxa-4-azacyclotetradecan-14-one has a molecular weight of 790.05 g/mol, XLogP of 1.73, 9 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,5S,6S,7R,9S,10R,11S,12S,13R)-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-6-hydroxy-12-[(4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-4,5,7,9,11,13-hexamethyl-2-(morpholin-4-ylmethyl)-1-oxa-4-azacyclotetradecan-14-one is sourced from PubChem (CID 24968765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).