ethyl (2E,4E,6E,8R,9R,10E,12E,16S,17S)-16-[tert-butyl(dimethyl)silyl]oxy-18-[(4S,5R)-5-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-[(2R,4S,5S,6S)-5-[(2S,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyl-4-triethylsilyloxyoxan-2-yl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-2-oxo-1,3-dioxolan-4-yl]-9-hydroxy-17-methoxy-2,4,6,8,12-pentamethyloctadeca-2,4,6,10,12-pentaenoate

C79H146O19Si4 — CID 134942071

About ethyl (2E,4E,6E,8R,9R,10E,12E,16S,17S)-16-[tert-butyl(dimethyl)silyl]oxy-18-[(4S,5R)-5-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-[(2R,4S,5S,6S)-5-[(2S,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyl-4-triethylsilyloxyoxan-2-yl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-2-oxo-1,3-dioxolan-4-yl]-9-hydroxy-17-methoxy-2,4,6,8,12-pentamethyloctadeca-2,4,6,10,12-pentaenoate

ethyl (2E,4E,6E,8R,9R,10E,12E,16S,17S)-16-[tert-butyl(dimethyl)silyl]oxy-18-[(4S,5R)-5-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-[(2R,4S,5S,6S)-5-[(2S,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyl-4-triethylsilyloxyoxan-2-yl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-2-oxo-1,3-dioxolan-4-yl]-9-hydroxy-17-methoxy-2,4,6,8,12-pentamethyloctadeca-2,4,6,10,12-pentaenoate (PubChem CID 134942071) has the molecular formula C79H146O19Si4 and a molecular weight of 1512.36 g/mol. Its IUPAC name is ethyl (2E,4E,6E,8R,9R,10E,12E,16S,17S)-16-[tert-butyl(dimethyl)silyl]oxy-18-[(4S,5R)-5-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-[(2R,4S,5S,6S)-5-[(2S,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyl-4-triethylsilyloxyoxan-2-yl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-2-oxo-1,3-dioxolan-4-yl]-9-hydroxy-17-methoxy-2,4,6,8,12-pentamethyloctadeca-2,4,6,10,12-pentaenoate.

Molecular Properties

• Compound Name: ethyl (2E,4E,6E,8R,9R,10E,12E,16S,17S)-16-[tert-butyl(dimethyl)silyl]oxy-18-[(4S,5R)-5-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-[(2R,4S,5S,6S)-5-[(2S,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyl-4-triethylsilyloxyoxan-2-yl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-2-oxo-1,3-dioxolan-4-yl]-9-hydroxy-17-methoxy-2,4,6,8,12-pentamethyloctadeca-2,4,6,10,12-pentaenoate
• PubChem CID: 134942071
• Molecular Formula: C79H146O19Si4
• Molecular Weight: 1512.36 g/mol
• Exact Mass: 1510.95
• IUPAC Name: ethyl (2E,4E,6E,8R,9R,10E,12E,16S,17S)-16-[tert-butyl(dimethyl)silyl]oxy-18-[(4S,5R)-5-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-[(2R,4S,5S,6S)-5-[(2S,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyl-4-triethylsilyloxyoxan-2-yl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-2-oxo-1,3-dioxolan-4-yl]-9-hydroxy-17-methoxy-2,4,6,8,12-pentamethyloctadeca-2,4,6,10,12-pentaenoate
• SMILES: CCOC(=O)/C(C)=C/C(C)=C/C(C)=C/[C@@H](C)[C@H](O)/C=C/C(C)=C/CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C[C@@H]1OC(=O)O[C@H]1[C@]1(OC)O[C@H](C[C@H](COC)O[C@H]2C[C@](C)(O[Si](CC)(CC)CC)[C@@H](O[C@H]3C[C@@H](OC)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)O3)[C@H](C)O2)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C)OC
• InChI: InChI=1S/C79H146O19Si4/c1-34-87-73(81)55(9)45-53(7)43-52(6)44-54(8)61(80)42-41-51(5)39-38-40-62(95-99(28,29)75(14,15)16)64(84-25)47-66-72(93-74(82)91-66)79(86-27)57(11)69(96-100(30,31)76(17,18)19)56(10)63(94-79)46-60(50-83-24)90-68-49-78(23,98-102(35-2,36-3)37-4)71(59(13)89-68)92-67-48-65(85-26)70(58(12)88-67)97-101(32,33)77(20,21)22/h39,41-45,54,56-72,80H,34-38,40,46-50H2,1-33H3/b42-41+,51-39+,52-44+,53-43+,55-45+/t54-,56+,57-,58-,59+,60-,61-,62+,63-,64+,65-,66+,67+,68+,69+,70-,71+,72-,78+,79-/m1/s1
• InChIKey: PXHZVOJWBDWXEO-BLSONUPKSA-N
• XLogP: 18.03
• TPSA: 202.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 37
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1512.36
LogP ≤ 5	18.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl (2E,4E,6E,8R,9R,10E,12E,16S,17S)-16-[tert-butyl(dimethyl)silyl]oxy-18-[(4S,5R)-5-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-[(2R,4S,5S,6S)-5-[(2S,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyl-4-triethylsilyloxyoxan-2-yl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-2-oxo-1,3-dioxolan-4-yl]-9-hydroxy-17-methoxy-2,4,6,8,12-pentamethyloctadeca-2,4,6,10,12-pentaenoate?

The IUPAC name of ethyl (2E,4E,6E,8R,9R,10E,12E,16S,17S)-16-[tert-butyl(dimethyl)silyl]oxy-18-[(4S,5R)-5-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-[(2R,4S,5S,6S)-5-[(2S,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyl-4-triethylsilyloxyoxan-2-yl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-2-oxo-1,3-dioxolan-4-yl]-9-hydroxy-17-methoxy-2,4,6,8,12-pentamethyloctadeca-2,4,6,10,12-pentaenoate (CID 134942071) is ethyl (2E,4E,6E,8R,9R,10E,12E,16S,17S)-16-[tert-butyl(dimethyl)silyl]oxy-18-[(4S,5R)-5-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-[(2R,4S,5S,6S)-5-[(2S,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyl-4-triethylsilyloxyoxan-2-yl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-2-oxo-1,3-dioxolan-4-yl]-9-hydroxy-17-methoxy-2,4,6,8,12-pentamethyloctadeca-2,4,6,10,12-pentaenoate.

What is the SMILES notation for ethyl (2E,4E,6E,8R,9R,10E,12E,16S,17S)-16-[tert-butyl(dimethyl)silyl]oxy-18-[(4S,5R)-5-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-[(2R,4S,5S,6S)-5-[(2S,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyl-4-triethylsilyloxyoxan-2-yl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-2-oxo-1,3-dioxolan-4-yl]-9-hydroxy-17-methoxy-2,4,6,8,12-pentamethyloctadeca-2,4,6,10,12-pentaenoate?

The canonical SMILES for ethyl (2E,4E,6E,8R,9R,10E,12E,16S,17S)-16-[tert-butyl(dimethyl)silyl]oxy-18-[(4S,5R)-5-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-[(2R,4S,5S,6S)-5-[(2S,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyl-4-triethylsilyloxyoxan-2-yl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-2-oxo-1,3-dioxolan-4-yl]-9-hydroxy-17-methoxy-2,4,6,8,12-pentamethyloctadeca-2,4,6,10,12-pentaenoate is CCOC(=O)/C(C)=C/C(C)=C/C(C)=C/[C@@H](C)[C@H](O)/C=C/C(C)=C/CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C[C@@H]1OC(=O)O[C@H]1[C@]1(OC)O[C@H](C[C@H](COC)O[C@H]2C[C@](C)(O[Si](CC)(CC)CC)[C@@H](O[C@H]3C[C@@H](OC)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)O3)[C@H](C)O2)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C)OC.

What is the InChIKey of ethyl (2E,4E,6E,8R,9R,10E,12E,16S,17S)-16-[tert-butyl(dimethyl)silyl]oxy-18-[(4S,5R)-5-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-[(2R,4S,5S,6S)-5-[(2S,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyl-4-triethylsilyloxyoxan-2-yl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-2-oxo-1,3-dioxolan-4-yl]-9-hydroxy-17-methoxy-2,4,6,8,12-pentamethyloctadeca-2,4,6,10,12-pentaenoate?

The InChIKey is PXHZVOJWBDWXEO-BLSONUPKSA-N. The full InChI is InChI=1S/C79H146O19Si4/c1-34-87-73(81)55(9)45-53(7)43-52(6)44-54(8)61(80)42-41-51(5)39-38-40-62(95-99(28,29)75(14,15)16)64(84-25)47-66-72(93-74(82)91-66)79(86-27)57(11)69(96-100(30,31)76(17,18)19)56(10)63(94-79)46-60(50-83-24)90-68-49-78(23,98-102(35-2,36-3)37-4)71(59(13)89-68)92-67-48-65(85-26)70(58(12)88-67)97-101(32,33)77(20,21)22/h39,41-45,54,56-72,80H,34-38,40,46-50H2,1-33H3/b42-41+,51-39+,52-44+,53-43+,55-45+/t54-,56+,57-,58-,59+,60-,61-,62+,63-,64+,65-,66+,67+,68+,69+,70-,71+,72-,78+,79-/m1/s1.

What are the key properties of ethyl (2E,4E,6E,8R,9R,10E,12E,16S,17S)-16-[tert-butyl(dimethyl)silyl]oxy-18-[(4S,5R)-5-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-[(2R,4S,5S,6S)-5-[(2S,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyl-4-triethylsilyloxyoxan-2-yl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-2-oxo-1,3-dioxolan-4-yl]-9-hydroxy-17-methoxy-2,4,6,8,12-pentamethyloctadeca-2,4,6,10,12-pentaenoate?

ethyl (2E,4E,6E,8R,9R,10E,12E,16S,17S)-16-[tert-butyl(dimethyl)silyl]oxy-18-[(4S,5R)-5-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-[(2R,4S,5S,6S)-5-[(2S,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyl-4-triethylsilyloxyoxan-2-yl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-2-oxo-1,3-dioxolan-4-yl]-9-hydroxy-17-methoxy-2,4,6,8,12-pentamethyloctadeca-2,4,6,10,12-pentaenoate has a molecular weight of 1512.36 g/mol, XLogP of 18.03, 37 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (2E,4E,6E,8R,9R,10E,12E,16S,17S)-16-[tert-butyl(dimethyl)silyl]oxy-18-[(4S,5R)-5-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-[(2R,4S,5S,6S)-5-[(2S,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyl-4-triethylsilyloxyoxan-2-yl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-2-oxo-1,3-dioxolan-4-yl]-9-hydroxy-17-methoxy-2,4,6,8,12-pentamethyloctadeca-2,4,6,10,12-pentaenoate is sourced from PubChem (CID 134942071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).