(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-N-(1-naphthalen-1-ylethyl)-15-oxo-1-oxa-6-azacyclopentadecane-6-carboxamide

C50H81N3O13 — CID 59780225

About (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-N-(1-naphthalen-1-ylethyl)-15-oxo-1-oxa-6-azacyclopentadecane-6-carboxamide

(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-N-(1-naphthalen-1-ylethyl)-15-oxo-1-oxa-6-azacyclopentadecane-6-carboxamide (PubChem CID 59780225) has the molecular formula C50H81N3O13 and a molecular weight of 932.21 g/mol. Its IUPAC name is (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-N-(1-naphthalen-1-ylethyl)-15-oxo-1-oxa-6-azacyclopentadecane-6-carboxamide.

Molecular Properties

• Compound Name: (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-N-(1-naphthalen-1-ylethyl)-15-oxo-1-oxa-6-azacyclopentadecane-6-carboxamide
• PubChem CID: 59780225
• Molecular Formula: C50H81N3O13
• Molecular Weight: 932.21 g/mol
• Exact Mass: 931.58
• IUPAC Name: (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-N-(1-naphthalen-1-ylethyl)-15-oxo-1-oxa-6-azacyclopentadecane-6-carboxamide
• SMILES: CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C(=O)NC(C)c2cccc3ccccc23)[C@H](C)[C@@H](O)[C@]1(C)O
• InChI: InChI=1S/C50H81N3O13/c1-15-38-50(11,60)42(55)32(7)53(47(58)51-31(6)35-22-18-20-34-19-16-17-21-36(34)35)26-27(2)24-48(9,59)44(66-46-40(54)37(52(12)13)23-28(3)62-46)29(4)41(30(5)45(57)64-38)65-39-25-49(10,61-14)43(56)33(8)63-39/h16-22,27-33,37-44,46,54-56,59-60H,15,23-26H2,1-14H3,(H,51,58)/t27-,28-,29+,30-,31?,32-,33+,37+,38-,39+,40-,41+,42-,43+,44-,46+,48-,49-,50-/m1/s1
• InChIKey: BXOWZNFTRSFUGW-KPGAODFQSA-N
• XLogP: 4.89
• TPSA: 209.18 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	932.21
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-N-(1-naphthalen-1-ylethyl)-15-oxo-1-oxa-6-azacyclopentadecane-6-carboxamide?

The IUPAC name of (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-N-(1-naphthalen-1-ylethyl)-15-oxo-1-oxa-6-azacyclopentadecane-6-carboxamide (CID 59780225) is (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-N-(1-naphthalen-1-ylethyl)-15-oxo-1-oxa-6-azacyclopentadecane-6-carboxamide.

What is the SMILES notation for (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-N-(1-naphthalen-1-ylethyl)-15-oxo-1-oxa-6-azacyclopentadecane-6-carboxamide?

The canonical SMILES for (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-N-(1-naphthalen-1-ylethyl)-15-oxo-1-oxa-6-azacyclopentadecane-6-carboxamide is CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C(=O)NC(C)c2cccc3ccccc23)[C@H](C)[C@@H](O)[C@]1(C)O.

What is the InChIKey of (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-N-(1-naphthalen-1-ylethyl)-15-oxo-1-oxa-6-azacyclopentadecane-6-carboxamide?

The InChIKey is BXOWZNFTRSFUGW-KPGAODFQSA-N. The full InChI is InChI=1S/C50H81N3O13/c1-15-38-50(11,60)42(55)32(7)53(47(58)51-31(6)35-22-18-20-34-19-16-17-21-36(34)35)26-27(2)24-48(9,59)44(66-46-40(54)37(52(12)13)23-28(3)62-46)29(4)41(30(5)45(57)64-38)65-39-25-49(10,61-14)43(56)33(8)63-39/h16-22,27-33,37-44,46,54-56,59-60H,15,23-26H2,1-14H3,(H,51,58)/t27-,28-,29+,30-,31?,32-,33+,37+,38-,39+,40-,41+,42-,43+,44-,46+,48-,49-,50-/m1/s1.

What are the key properties of (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-N-(1-naphthalen-1-ylethyl)-15-oxo-1-oxa-6-azacyclopentadecane-6-carboxamide?

(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-N-(1-naphthalen-1-ylethyl)-15-oxo-1-oxa-6-azacyclopentadecane-6-carboxamide has a molecular weight of 932.21 g/mol, XLogP of 4.89, 9 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-N-(1-naphthalen-1-ylethyl)-15-oxo-1-oxa-6-azacyclopentadecane-6-carboxamide is sourced from PubChem (CID 59780225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).