(3R,4S,5S,6Z,9R,11R,12R,13S,14R)-14-ethyl-6-[(2S,3R,4S,6R)-4-[2-[1-[[(5R)-3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]ethyl-methylamino]-3-hydroxy-6-methyloxan-2-yl]oxy-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,9,11,13-pentamethyl-1-oxacyclotetradec-6-ene-2,10-dione

C50H76FN5O15 — CID 89274605

About (3R,4S,5S,6Z,9R,11R,12R,13S,14R)-14-ethyl-6-[(2S,3R,4S,6R)-4-[2-[1-[[(5R)-3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]ethyl-methylamino]-3-hydroxy-6-methyloxan-2-yl]oxy-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,9,11,13-pentamethyl-1-oxacyclotetradec-6-ene-2,10-dione

(3R,4S,5S,6Z,9R,11R,12R,13S,14R)-14-ethyl-6-[(2S,3R,4S,6R)-4-[2-[1-[[(5R)-3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]ethyl-methylamino]-3-hydroxy-6-methyloxan-2-yl]oxy-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,9,11,13-pentamethyl-1-oxacyclotetradec-6-ene-2,10-dione (PubChem CID 89274605) has the molecular formula C50H76FN5O15 and a molecular weight of 1006.18 g/mol. Its IUPAC name is (3R,4S,5S,6Z,9R,11R,12R,13S,14R)-14-ethyl-6-[(2S,3R,4S,6R)-4-[2-[1-[[(5R)-3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]ethyl-methylamino]-3-hydroxy-6-methyloxan-2-yl]oxy-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,9,11,13-pentamethyl-1-oxacyclotetradec-6-ene-2,10-dione.

Molecular Properties

• Compound Name: (3R,4S,5S,6Z,9R,11R,12R,13S,14R)-14-ethyl-6-[(2S,3R,4S,6R)-4-[2-[1-[[(5R)-3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]ethyl-methylamino]-3-hydroxy-6-methyloxan-2-yl]oxy-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,9,11,13-pentamethyl-1-oxacyclotetradec-6-ene-2,10-dione
• PubChem CID: 89274605
• Molecular Formula: C50H76FN5O15
• Molecular Weight: 1006.18 g/mol
• Exact Mass: 1005.53
• IUPAC Name: (3R,4S,5S,6Z,9R,11R,12R,13S,14R)-14-ethyl-6-[(2S,3R,4S,6R)-4-[2-[1-[[(5R)-3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]ethyl-methylamino]-3-hydroxy-6-methyloxan-2-yl]oxy-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,9,11,13-pentamethyl-1-oxacyclotetradec-6-ene-2,10-dione
• 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(O[C@@H]2O[C@H](C)C[C@H](N(C)CCc3cn(C[C@H]4CN(c5cccc(F)c5)C(=O)O4)nn3)[C@H]2O)=C(/OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
• InChI: InChI=1S/C50H76FN5O15/c1-13-38-50(9,63)44(59)28(4)40(57)26(2)19-37(64-11)43(29(5)42(30(6)46(61)69-38)70-39-22-49(8,65-12)45(60)31(7)67-39)71-47-41(58)36(20-27(3)66-47)54(10)18-17-33-23-55(53-52-33)24-35-25-56(48(62)68-35)34-16-14-15-32(51)21-34/h14-16,21,23,26-31,35-36,38-39,41-42,44-45,47,58-60,63H,13,17-20,22,24-25H2,1-12H3/b43-37-/t26-,27-,28+,29+,30-,31+,35+,36+,38-,39+,41-,42+,44-,45+,47+,49-,50-/m1/s1
• InChIKey: MWZINPXVSVOZST-ACLZOOKXSA-N
• XLogP: 3.89
• TPSA: 243.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1006.18
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S,6Z,9R,11R,12R,13S,14R)-14-ethyl-6-[(2S,3R,4S,6R)-4-[2-[1-[[(5R)-3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]ethyl-methylamino]-3-hydroxy-6-methyloxan-2-yl]oxy-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,9,11,13-pentamethyl-1-oxacyclotetradec-6-ene-2,10-dione?

The IUPAC name of (3R,4S,5S,6Z,9R,11R,12R,13S,14R)-14-ethyl-6-[(2S,3R,4S,6R)-4-[2-[1-[[(5R)-3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]ethyl-methylamino]-3-hydroxy-6-methyloxan-2-yl]oxy-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,9,11,13-pentamethyl-1-oxacyclotetradec-6-ene-2,10-dione (CID 89274605) is (3R,4S,5S,6Z,9R,11R,12R,13S,14R)-14-ethyl-6-[(2S,3R,4S,6R)-4-[2-[1-[[(5R)-3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]ethyl-methylamino]-3-hydroxy-6-methyloxan-2-yl]oxy-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,9,11,13-pentamethyl-1-oxacyclotetradec-6-ene-2,10-dione.

What is the SMILES notation for (3R,4S,5S,6Z,9R,11R,12R,13S,14R)-14-ethyl-6-[(2S,3R,4S,6R)-4-[2-[1-[[(5R)-3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]ethyl-methylamino]-3-hydroxy-6-methyloxan-2-yl]oxy-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,9,11,13-pentamethyl-1-oxacyclotetradec-6-ene-2,10-dione?

The canonical SMILES for (3R,4S,5S,6Z,9R,11R,12R,13S,14R)-14-ethyl-6-[(2S,3R,4S,6R)-4-[2-[1-[[(5R)-3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]ethyl-methylamino]-3-hydroxy-6-methyloxan-2-yl]oxy-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,9,11,13-pentamethyl-1-oxacyclotetradec-6-ene-2,10-dione 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(O[C@@H]2O[C@H](C)C[C@H](N(C)CCc3cn(C[C@H]4CN(c5cccc(F)c5)C(=O)O4)nn3)[C@H]2O)=C(/OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O.

What is the InChIKey of (3R,4S,5S,6Z,9R,11R,12R,13S,14R)-14-ethyl-6-[(2S,3R,4S,6R)-4-[2-[1-[[(5R)-3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]ethyl-methylamino]-3-hydroxy-6-methyloxan-2-yl]oxy-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,9,11,13-pentamethyl-1-oxacyclotetradec-6-ene-2,10-dione?

The InChIKey is MWZINPXVSVOZST-ACLZOOKXSA-N. The full InChI is InChI=1S/C50H76FN5O15/c1-13-38-50(9,63)44(59)28(4)40(57)26(2)19-37(64-11)43(29(5)42(30(6)46(61)69-38)70-39-22-49(8,65-12)45(60)31(7)67-39)71-47-41(58)36(20-27(3)66-47)54(10)18-17-33-23-55(53-52-33)24-35-25-56(48(62)68-35)34-16-14-15-32(51)21-34/h14-16,21,23,26-31,35-36,38-39,41-42,44-45,47,58-60,63H,13,17-20,22,24-25H2,1-12H3/b43-37-/t26-,27-,28+,29+,30-,31+,35+,36+,38-,39+,41-,42+,44-,45+,47+,49-,50-/m1/s1.

What are the key properties of (3R,4S,5S,6Z,9R,11R,12R,13S,14R)-14-ethyl-6-[(2S,3R,4S,6R)-4-[2-[1-[[(5R)-3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]ethyl-methylamino]-3-hydroxy-6-methyloxan-2-yl]oxy-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,9,11,13-pentamethyl-1-oxacyclotetradec-6-ene-2,10-dione?

(3R,4S,5S,6Z,9R,11R,12R,13S,14R)-14-ethyl-6-[(2S,3R,4S,6R)-4-[2-[1-[[(5R)-3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]ethyl-methylamino]-3-hydroxy-6-methyloxan-2-yl]oxy-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,9,11,13-pentamethyl-1-oxacyclotetradec-6-ene-2,10-dione has a molecular weight of 1006.18 g/mol, XLogP of 3.89, 14 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4S,5S,6Z,9R,11R,12R,13S,14R)-14-ethyl-6-[(2S,3R,4S,6R)-4-[2-[1-[[(5R)-3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]ethyl-methylamino]-3-hydroxy-6-methyloxan-2-yl]oxy-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,9,11,13-pentamethyl-1-oxacyclotetradec-6-ene-2,10-dione is sourced from PubChem (CID 89274605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).