(2E,4Z,6E,8Z,11S,13S,14E,16E,18E,20E,22R,23R,24S)-13-[tert-butyl(diphenyl)silyl]oxy-23-hydroxy-11-methoxy-5,8,19,22-tetramethyl-24-[(4R,5S)-2,2,4-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]pentacosa-2,4,6,8,14,16,18,20-octaenoic acid

C57H81NO8Si — CID 25180541

About (2E,4Z,6E,8Z,11S,13S,14E,16E,18E,20E,22R,23R,24S)-13-[tert-butyl(diphenyl)silyl]oxy-23-hydroxy-11-methoxy-5,8,19,22-tetramethyl-24-[(4R,5S)-2,2,4-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]pentacosa-2,4,6,8,14,16,18,20-octaenoic acid

(2E,4Z,6E,8Z,11S,13S,14E,16E,18E,20E,22R,23R,24S)-13-[tert-butyl(diphenyl)silyl]oxy-23-hydroxy-11-methoxy-5,8,19,22-tetramethyl-24-[(4R,5S)-2,2,4-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]pentacosa-2,4,6,8,14,16,18,20-octaenoic acid (PubChem CID 25180541) has the molecular formula C57H81NO8Si and a molecular weight of 936.36 g/mol. Its IUPAC name is (2E,4Z,6E,8Z,11S,13S,14E,16E,18E,20E,22R,23R,24S)-13-[tert-butyl(diphenyl)silyl]oxy-23-hydroxy-11-methoxy-5,8,19,22-tetramethyl-24-[(4R,5S)-2,2,4-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]pentacosa-2,4,6,8,14,16,18,20-octaenoic acid.

Molecular Properties

• Compound Name: (2E,4Z,6E,8Z,11S,13S,14E,16E,18E,20E,22R,23R,24S)-13-[tert-butyl(diphenyl)silyl]oxy-23-hydroxy-11-methoxy-5,8,19,22-tetramethyl-24-[(4R,5S)-2,2,4-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]pentacosa-2,4,6,8,14,16,18,20-octaenoic acid
• PubChem CID: 25180541
• Molecular Formula: C57H81NO8Si
• Molecular Weight: 936.36 g/mol
• Exact Mass: 935.57
• IUPAC Name: (2E,4Z,6E,8Z,11S,13S,14E,16E,18E,20E,22R,23R,24S)-13-[tert-butyl(diphenyl)silyl]oxy-23-hydroxy-11-methoxy-5,8,19,22-tetramethyl-24-[(4R,5S)-2,2,4-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]pentacosa-2,4,6,8,14,16,18,20-octaenoic acid
• SMILES: CO[C@@H](C/C=C(C)\C=C\C(C)=C/C=C/C(=O)O)C[C@@H](/C=C/C=C/C=C(C)/C=C/[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C57H81NO8Si/c1-41(36-38-44(4)52(61)45(5)53-46(6)58(57(13,14)64-53)54(62)65-55(7,8)9)26-19-16-20-28-48(40-47(63-15)39-37-43(3)35-34-42(2)27-25-33-51(59)60)66-67(56(10,11)12,49-29-21-17-22-30-49)50-31-23-18-24-32-50/h16-38,44-48,52-53,61H,39-40H2,1-15H3,(H,59,60)/b19-16+,28-20+,33-25+,35-34+,38-36+,41-26+,42-27-,43-37-/t44-,45+,46-,47+,48-,52-,53+/m1/s1
• InChIKey: GSZQEZIDRBWAET-GDISRDRSSA-N
• XLogP: 11.82
• TPSA: 114.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 21
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	936.36
LogP ≤ 5	11.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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 (2E,4Z,6E,8Z,11S,13S,14E,16E,18E,20E,22R,23R,24S)-13-[tert-butyl(diphenyl)silyl]oxy-23-hydroxy-11-methoxy-5,8,19,22-tetramethyl-24-[(4R,5S)-2,2,4-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]pentacosa-2,4,6,8,14,16,18,20-octaenoic acid?

The IUPAC name of (2E,4Z,6E,8Z,11S,13S,14E,16E,18E,20E,22R,23R,24S)-13-[tert-butyl(diphenyl)silyl]oxy-23-hydroxy-11-methoxy-5,8,19,22-tetramethyl-24-[(4R,5S)-2,2,4-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]pentacosa-2,4,6,8,14,16,18,20-octaenoic acid (CID 25180541) is (2E,4Z,6E,8Z,11S,13S,14E,16E,18E,20E,22R,23R,24S)-13-[tert-butyl(diphenyl)silyl]oxy-23-hydroxy-11-methoxy-5,8,19,22-tetramethyl-24-[(4R,5S)-2,2,4-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]pentacosa-2,4,6,8,14,16,18,20-octaenoic acid.

What is the SMILES notation for (2E,4Z,6E,8Z,11S,13S,14E,16E,18E,20E,22R,23R,24S)-13-[tert-butyl(diphenyl)silyl]oxy-23-hydroxy-11-methoxy-5,8,19,22-tetramethyl-24-[(4R,5S)-2,2,4-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]pentacosa-2,4,6,8,14,16,18,20-octaenoic acid?

The canonical SMILES for (2E,4Z,6E,8Z,11S,13S,14E,16E,18E,20E,22R,23R,24S)-13-[tert-butyl(diphenyl)silyl]oxy-23-hydroxy-11-methoxy-5,8,19,22-tetramethyl-24-[(4R,5S)-2,2,4-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]pentacosa-2,4,6,8,14,16,18,20-octaenoic acid is CO[C@@H](C/C=C(C)\C=C\C(C)=C/C=C/C(=O)O)C[C@@H](/C=C/C=C/C=C(C)/C=C/[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.

What is the InChIKey of (2E,4Z,6E,8Z,11S,13S,14E,16E,18E,20E,22R,23R,24S)-13-[tert-butyl(diphenyl)silyl]oxy-23-hydroxy-11-methoxy-5,8,19,22-tetramethyl-24-[(4R,5S)-2,2,4-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]pentacosa-2,4,6,8,14,16,18,20-octaenoic acid?

The InChIKey is GSZQEZIDRBWAET-GDISRDRSSA-N. The full InChI is InChI=1S/C57H81NO8Si/c1-41(36-38-44(4)52(61)45(5)53-46(6)58(57(13,14)64-53)54(62)65-55(7,8)9)26-19-16-20-28-48(40-47(63-15)39-37-43(3)35-34-42(2)27-25-33-51(59)60)66-67(56(10,11)12,49-29-21-17-22-30-49)50-31-23-18-24-32-50/h16-38,44-48,52-53,61H,39-40H2,1-15H3,(H,59,60)/b19-16+,28-20+,33-25+,35-34+,38-36+,41-26+,42-27-,43-37-/t44-,45+,46-,47+,48-,52-,53+/m1/s1.

What are the key properties of (2E,4Z,6E,8Z,11S,13S,14E,16E,18E,20E,22R,23R,24S)-13-[tert-butyl(diphenyl)silyl]oxy-23-hydroxy-11-methoxy-5,8,19,22-tetramethyl-24-[(4R,5S)-2,2,4-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]pentacosa-2,4,6,8,14,16,18,20-octaenoic acid?

(2E,4Z,6E,8Z,11S,13S,14E,16E,18E,20E,22R,23R,24S)-13-[tert-butyl(diphenyl)silyl]oxy-23-hydroxy-11-methoxy-5,8,19,22-tetramethyl-24-[(4R,5S)-2,2,4-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]pentacosa-2,4,6,8,14,16,18,20-octaenoic acid has a molecular weight of 936.36 g/mol, XLogP of 11.82, 21 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,4Z,6E,8Z,11S,13S,14E,16E,18E,20E,22R,23R,24S)-13-[tert-butyl(diphenyl)silyl]oxy-23-hydroxy-11-methoxy-5,8,19,22-tetramethyl-24-[(4R,5S)-2,2,4-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-5-yl]pentacosa-2,4,6,8,14,16,18,20-octaenoic acid is sourced from PubChem (CID 25180541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).