(3S,4S)-1,4-dihydroxy-4-[5-(hydroxymethyl)furan-2-yl]-3-methyl-3-[[4-[4-(1,3-oxazol-5-yl)phenyl]phenyl]methoxy]butan-2-one;[5-[(1S,2S)-3-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-1-hydroxy-2-methyl-2-[[4-[4-(1,3-oxazol-5-yl)phenyl]phenyl]methoxy]-3-oxopropyl]furan-2-yl]methyl acetate;dooctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81-hentetracontayne

C146H63N3O16 — CID 161069439

About (3S,4S)-1,4-dihydroxy-4-[5-(hydroxymethyl)furan-2-yl]-3-methyl-3-[[4-[4-(1,3-oxazol-5-yl)phenyl]phenyl]methoxy]butan-2-one;[5-[(1S,2S)-3-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-1-hydroxy-2-methyl-2-[[4-[4-(1,3-oxazol-5-yl)phenyl]phenyl]methoxy]-3-oxopropyl]furan-2-yl]methyl acetate;dooctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81-hentetracontayne

(3S,4S)-1,4-dihydroxy-4-[5-(hydroxymethyl)furan-2-yl]-3-methyl-3-[[4-[4-(1,3-oxazol-5-yl)phenyl]phenyl]methoxy]butan-2-one;[5-[(1S,2S)-3-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-1-hydroxy-2-methyl-2-[[4-[4-(1,3-oxazol-5-yl)phenyl]phenyl]methoxy]-3-oxopropyl]furan-2-yl]methyl acetate;dooctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81-hentetracontayne (PubChem CID 161069439) has the molecular formula C146H63N3O16 and a molecular weight of 2115.11 g/mol. Its IUPAC name is (3S,4S)-1,4-dihydroxy-4-[5-(hydroxymethyl)furan-2-yl]-3-methyl-3-[[4-[4-(1,3-oxazol-5-yl)phenyl]phenyl]methoxy]butan-2-one;[5-[(1S,2S)-3-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-1-hydroxy-2-methyl-2-[[4-[4-(1,3-oxazol-5-yl)phenyl]phenyl]methoxy]-3-oxopropyl]furan-2-yl]methyl acetate;dooctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81-hentetracontayne.

Molecular Properties

• Compound Name: (3S,4S)-1,4-dihydroxy-4-[5-(hydroxymethyl)furan-2-yl]-3-methyl-3-[[4-[4-(1,3-oxazol-5-yl)phenyl]phenyl]methoxy]butan-2-one;[5-[(1S,2S)-3-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-1-hydroxy-2-methyl-2-[[4-[4-(1,3-oxazol-5-yl)phenyl]phenyl]methoxy]-3-oxopropyl]furan-2-yl]methyl acetate;dooctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81-hentetracontayne
• PubChem CID: 161069439
• Molecular Formula: C146H63N3O16
• Molecular Weight: 2115.11 g/mol
• Exact Mass: 2113.42
• IUPAC Name: (3S,4S)-1,4-dihydroxy-4-[5-(hydroxymethyl)furan-2-yl]-3-methyl-3-[[4-[4-(1,3-oxazol-5-yl)phenyl]phenyl]methoxy]butan-2-one;[5-[(1S,2S)-3-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-1-hydroxy-2-methyl-2-[[4-[4-(1,3-oxazol-5-yl)phenyl]phenyl]methoxy]-3-oxopropyl]furan-2-yl]methyl acetate;dooctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81-hentetracontayne
• SMILES: C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.CC(=O)OCc1ccc([C@H](O)[C@](C)(OCc2ccc(-c3ccc(-c4cnco4)cc3)cc2)C(=O)N2C(=O)OC(C)(C)[C@@H]2c2ccccc2)o1.C[C@@](OCc1ccc(-c2ccc(-c3cnco3)cc2)cc1)(C(=O)CO)[C@@H](O)c1ccc(CO)o1
• InChI: InChI=1S/C82H2.C38H36N2O9.C26H25NO7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-24(41)45-22-30-18-19-31(48-30)34(42)38(4,35(43)40-33(29-8-6-5-7-9-29)37(2,3)49-36(40)44)47-21-25-10-12-26(13-11-25)27-14-16-28(17-15-27)32-20-39-23-46-32;1-26(24(30)14-29,25(31)22-11-10-21(13-28)34-22)33-15-17-2-4-18(5-3-17)19-6-8-20(9-7-19)23-12-27-16-32-23/h1-2H;5-20,23,33-34,42H,21-22H2,1-4H3;2-12,16,25,28-29,31H,13-15H2,1H3/t;33-,34-,38-;25-,26+/m.00/s1
• InChIKey: UELPQEHBYHTUDZ-FLSQIPLHSA-N
• XLogP: 11.22
• TPSA: 267.70 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 21
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2115.11
LogP ≤ 5	11.22
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1,4-dihydroxy-4-[5-(hydroxymethyl)furan-2-yl]-3-methyl-3-[[4-[4-(1,3-oxazol-5-yl)phenyl]phenyl]methoxy]butan-2-one;[5-[(1S,2S)-3-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-1-hydroxy-2-methyl-2-[[4-[4-(1,3-oxazol-5-yl)phenyl]phenyl]methoxy]-3-oxopropyl]furan-2-yl]methyl acetate;dooctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81-hentetracontayne?

The IUPAC name of (3S,4S)-1,4-dihydroxy-4-[5-(hydroxymethyl)furan-2-yl]-3-methyl-3-[[4-[4-(1,3-oxazol-5-yl)phenyl]phenyl]methoxy]butan-2-one;[5-[(1S,2S)-3-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-1-hydroxy-2-methyl-2-[[4-[4-(1,3-oxazol-5-yl)phenyl]phenyl]methoxy]-3-oxopropyl]furan-2-yl]methyl acetate;dooctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81-hentetracontayne (CID 161069439) is (3S,4S)-1,4-dihydroxy-4-[5-(hydroxymethyl)furan-2-yl]-3-methyl-3-[[4-[4-(1,3-oxazol-5-yl)phenyl]phenyl]methoxy]butan-2-one;[5-[(1S,2S)-3-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-1-hydroxy-2-methyl-2-[[4-[4-(1,3-oxazol-5-yl)phenyl]phenyl]methoxy]-3-oxopropyl]furan-2-yl]methyl acetate;dooctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81-hentetracontayne.

What is the SMILES notation for (3S,4S)-1,4-dihydroxy-4-[5-(hydroxymethyl)furan-2-yl]-3-methyl-3-[[4-[4-(1,3-oxazol-5-yl)phenyl]phenyl]methoxy]butan-2-one;[5-[(1S,2S)-3-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-1-hydroxy-2-methyl-2-[[4-[4-(1,3-oxazol-5-yl)phenyl]phenyl]methoxy]-3-oxopropyl]furan-2-yl]methyl acetate;dooctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81-hentetracontayne?

The canonical SMILES for (3S,4S)-1,4-dihydroxy-4-[5-(hydroxymethyl)furan-2-yl]-3-methyl-3-[[4-[4-(1,3-oxazol-5-yl)phenyl]phenyl]methoxy]butan-2-one;[5-[(1S,2S)-3-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-1-hydroxy-2-methyl-2-[[4-[4-(1,3-oxazol-5-yl)phenyl]phenyl]methoxy]-3-oxopropyl]furan-2-yl]methyl acetate;dooctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81-hentetracontayne is C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.CC(=O)OCc1ccc([C@H](O)[C@](C)(OCc2ccc(-c3ccc(-c4cnco4)cc3)cc2)C(=O)N2C(=O)OC(C)(C)[C@@H]2c2ccccc2)o1.C[C@@](OCc1ccc(-c2ccc(-c3cnco3)cc2)cc1)(C(=O)CO)[C@@H](O)c1ccc(CO)o1.

What is the InChIKey of (3S,4S)-1,4-dihydroxy-4-[5-(hydroxymethyl)furan-2-yl]-3-methyl-3-[[4-[4-(1,3-oxazol-5-yl)phenyl]phenyl]methoxy]butan-2-one;[5-[(1S,2S)-3-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-1-hydroxy-2-methyl-2-[[4-[4-(1,3-oxazol-5-yl)phenyl]phenyl]methoxy]-3-oxopropyl]furan-2-yl]methyl acetate;dooctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81-hentetracontayne?

The InChIKey is UELPQEHBYHTUDZ-FLSQIPLHSA-N. The full InChI is InChI=1S/C82H2.C38H36N2O9.C26H25NO7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-75-77-79-81-82-80-78-76-74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-24(41)45-22-30-18-19-31(48-30)34(42)38(4,35(43)40-33(29-8-6-5-7-9-29)37(2,3)49-36(40)44)47-21-25-10-12-26(13-11-25)27-14-16-28(17-15-27)32-20-39-23-46-32;1-26(24(30)14-29,25(31)22-11-10-21(13-28)34-22)33-15-17-2-4-18(5-3-17)19-6-8-20(9-7-19)23-12-27-16-32-23/h1-2H;5-20,23,33-34,42H,21-22H2,1-4H3;2-12,16,25,28-29,31H,13-15H2,1H3/t;33-,34-,38-;25-,26+/m.00/s1.

What are the key properties of (3S,4S)-1,4-dihydroxy-4-[5-(hydroxymethyl)furan-2-yl]-3-methyl-3-[[4-[4-(1,3-oxazol-5-yl)phenyl]phenyl]methoxy]butan-2-one;[5-[(1S,2S)-3-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-1-hydroxy-2-methyl-2-[[4-[4-(1,3-oxazol-5-yl)phenyl]phenyl]methoxy]-3-oxopropyl]furan-2-yl]methyl acetate;dooctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81-hentetracontayne?

(3S,4S)-1,4-dihydroxy-4-[5-(hydroxymethyl)furan-2-yl]-3-methyl-3-[[4-[4-(1,3-oxazol-5-yl)phenyl]phenyl]methoxy]butan-2-one;[5-[(1S,2S)-3-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-1-hydroxy-2-methyl-2-[[4-[4-(1,3-oxazol-5-yl)phenyl]phenyl]methoxy]-3-oxopropyl]furan-2-yl]methyl acetate;dooctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81-hentetracontayne has a molecular weight of 2115.11 g/mol, XLogP of 11.22, 21 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4S)-1,4-dihydroxy-4-[5-(hydroxymethyl)furan-2-yl]-3-methyl-3-[[4-[4-(1,3-oxazol-5-yl)phenyl]phenyl]methoxy]butan-2-one;[5-[(1S,2S)-3-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-1-hydroxy-2-methyl-2-[[4-[4-(1,3-oxazol-5-yl)phenyl]phenyl]methoxy]-3-oxopropyl]furan-2-yl]methyl acetate;dooctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81-hentetracontayne is sourced from PubChem (CID 161069439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).