(2R,3S,5R,8R,10R,11R,13S,14R)-2-ethyl-11-[(2S,3R,4S,6R)-4-[2-[1-[[(5R)-3-[3-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]ethyl-methylamino]-3-hydroxy-6-methyloxan-2-yl]oxy-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one

C53H83FN8O15 — CID 10034128

About (2R,3S,5R,8R,10R,11R,13S,14R)-2-ethyl-11-[(2S,3R,4S,6R)-4-[2-[1-[[(5R)-3-[3-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]ethyl-methylamino]-3-hydroxy-6-methyloxan-2-yl]oxy-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one

(2R,3S,5R,8R,10R,11R,13S,14R)-2-ethyl-11-[(2S,3R,4S,6R)-4-[2-[1-[[(5R)-3-[3-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]ethyl-methylamino]-3-hydroxy-6-methyloxan-2-yl]oxy-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one (PubChem CID 10034128) has the molecular formula C53H83FN8O15 and a molecular weight of 1091.29 g/mol. Its IUPAC name is (2R,3S,5R,8R,10R,11R,13S,14R)-2-ethyl-11-[(2S,3R,4S,6R)-4-[2-[1-[[(5R)-3-[3-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]ethyl-methylamino]-3-hydroxy-6-methyloxan-2-yl]oxy-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one.

Molecular Properties

• Compound Name: (2R,3S,5R,8R,10R,11R,13S,14R)-2-ethyl-11-[(2S,3R,4S,6R)-4-[2-[1-[[(5R)-3-[3-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]ethyl-methylamino]-3-hydroxy-6-methyloxan-2-yl]oxy-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one
• PubChem CID: 10034128
• Molecular Formula: C53H83FN8O15
• Molecular Weight: 1091.29 g/mol
• Exact Mass: 1090.60
• IUPAC Name: (2R,3S,5R,8R,10R,11R,13S,14R)-2-ethyl-11-[(2S,3R,4S,6R)-4-[2-[1-[[(5R)-3-[3-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]ethyl-methylamino]-3-hydroxy-6-methyloxan-2-yl]oxy-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one
• 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(C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCc3cn(C[C@H]4CN(c5ccc(-c6ncon6)c(F)c5)C(=O)O4)nn3)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)C(O)[C@]1(C)O
• InChI: InChI=1S/C53H83FN8O15/c1-14-40-53(10,69)44(64)32(6)60(12)23-28(2)21-51(8,68)46(30(4)43(31(5)48(66)75-40)76-41-22-52(9,70-13)45(65)33(7)73-41)77-49-42(63)39(19-29(3)72-49)59(11)18-17-34-24-61(58-56-34)25-36-26-62(50(67)74-36)35-15-16-37(38(54)20-35)47-55-27-71-57-47/h15-16,20,24,27-33,36,39-46,49,63-65,68-69H,14,17-19,21-23,25-26H2,1-13H3/t28-,29-,30?,31-,32-,33+,36+,39+,40-,41+,42-,43+,44?,45+,46-,49+,51-,52-,53-/m1/s1
• InChIKey: DMVUSSAIZXTHOE-GBYWGEKLSA-N
• XLogP: 3.32
• TPSA: 279.25 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 14
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1091.29
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R,8R,10R,11R,13S,14R)-2-ethyl-11-[(2S,3R,4S,6R)-4-[2-[1-[[(5R)-3-[3-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]ethyl-methylamino]-3-hydroxy-6-methyloxan-2-yl]oxy-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one?

The IUPAC name of (2R,3S,5R,8R,10R,11R,13S,14R)-2-ethyl-11-[(2S,3R,4S,6R)-4-[2-[1-[[(5R)-3-[3-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]ethyl-methylamino]-3-hydroxy-6-methyloxan-2-yl]oxy-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one (CID 10034128) is (2R,3S,5R,8R,10R,11R,13S,14R)-2-ethyl-11-[(2S,3R,4S,6R)-4-[2-[1-[[(5R)-3-[3-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]ethyl-methylamino]-3-hydroxy-6-methyloxan-2-yl]oxy-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one.

What is the SMILES notation for (2R,3S,5R,8R,10R,11R,13S,14R)-2-ethyl-11-[(2S,3R,4S,6R)-4-[2-[1-[[(5R)-3-[3-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]ethyl-methylamino]-3-hydroxy-6-methyloxan-2-yl]oxy-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one?

The canonical SMILES for (2R,3S,5R,8R,10R,11R,13S,14R)-2-ethyl-11-[(2S,3R,4S,6R)-4-[2-[1-[[(5R)-3-[3-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]ethyl-methylamino]-3-hydroxy-6-methyloxan-2-yl]oxy-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one 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(C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCc3cn(C[C@H]4CN(c5ccc(-c6ncon6)c(F)c5)C(=O)O4)nn3)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)C(O)[C@]1(C)O.

What is the InChIKey of (2R,3S,5R,8R,10R,11R,13S,14R)-2-ethyl-11-[(2S,3R,4S,6R)-4-[2-[1-[[(5R)-3-[3-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]ethyl-methylamino]-3-hydroxy-6-methyloxan-2-yl]oxy-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one?

The InChIKey is DMVUSSAIZXTHOE-GBYWGEKLSA-N. The full InChI is InChI=1S/C53H83FN8O15/c1-14-40-53(10,69)44(64)32(6)60(12)23-28(2)21-51(8,68)46(30(4)43(31(5)48(66)75-40)76-41-22-52(9,70-13)45(65)33(7)73-41)77-49-42(63)39(19-29(3)72-49)59(11)18-17-34-24-61(58-56-34)25-36-26-62(50(67)74-36)35-15-16-37(38(54)20-35)47-55-27-71-57-47/h15-16,20,24,27-33,36,39-46,49,63-65,68-69H,14,17-19,21-23,25-26H2,1-13H3/t28-,29-,30?,31-,32-,33+,36+,39+,40-,41+,42-,43+,44?,45+,46-,49+,51-,52-,53-/m1/s1.

What are the key properties of (2R,3S,5R,8R,10R,11R,13S,14R)-2-ethyl-11-[(2S,3R,4S,6R)-4-[2-[1-[[(5R)-3-[3-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]ethyl-methylamino]-3-hydroxy-6-methyloxan-2-yl]oxy-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one?

(2R,3S,5R,8R,10R,11R,13S,14R)-2-ethyl-11-[(2S,3R,4S,6R)-4-[2-[1-[[(5R)-3-[3-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]ethyl-methylamino]-3-hydroxy-6-methyloxan-2-yl]oxy-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one has a molecular weight of 1091.29 g/mol, XLogP of 3.32, 14 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,5R,8R,10R,11R,13S,14R)-2-ethyl-11-[(2S,3R,4S,6R)-4-[2-[1-[[(5R)-3-[3-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]ethyl-methylamino]-3-hydroxy-6-methyloxan-2-yl]oxy-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one is sourced from PubChem (CID 10034128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).