[3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]methanol;(4S)-4-[4-[[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]phenyl]-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]azetidin-2-one

C99H109F2NO24 — CID 158087780

About [3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]methanol;(4S)-4-[4-[[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]phenyl]-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]azetidin-2-one

[3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]methanol;(4S)-4-[4-[[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]phenyl]-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]azetidin-2-one (PubChem CID 158087780) has the molecular formula C99H109F2NO24 and a molecular weight of 1734.94 g/mol. Its IUPAC name is [3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]methanol;(4S)-4-[4-[[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]phenyl]-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]azetidin-2-one.

Molecular Properties

• Compound Name: [3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]methanol;(4S)-4-[4-[[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]phenyl]-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]azetidin-2-one
• PubChem CID: 158087780
• Molecular Formula: C99H109F2NO24
• Molecular Weight: 1734.94 g/mol
• Exact Mass: 1733.73
• IUPAC Name: [3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]methanol;(4S)-4-[4-[[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]phenyl]-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]azetidin-2-one
• SMILES: O=C1C(CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(OCC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)cc2)N1c1ccc(F)cc1.OCC1OC(COCc2ccccc2)C(OC2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
• InChI: InChI=1S/C62H66O11.C37H43F2NO13/c63-36-53-56(66-39-48-26-12-3-13-27-48)59(68-41-50-30-16-5-17-31-50)58(55(71-53)45-65-38-47-24-10-2-11-25-47)73-62-61(70-43-52-34-20-7-21-35-52)60(69-42-51-32-18-6-19-33-51)57(67-40-49-28-14-4-15-29-49)54(72-62)44-64-37-46-22-8-1-9-23-46;38-20-5-1-18(2-6-20)25(43)14-13-24-29(40(36(24)49)22-9-7-21(39)8-10-22)19-3-11-23(12-4-19)50-17-28-31(45)33(47)35(27(16-42)51-28)53-37-34(48)32(46)30(44)26(15-41)52-37/h1-35,53-63H,36-45H2;1-12,24-35,37,41-48H,13-17H2/t;24?,25-,26?,27?,28?,29+,30?,31?,32?,33?,34?,35?,37?/m.0/s1
• InChIKey: FNSLNAMNJRZKRH-IDDBSYPESA-N
• XLogP: 10.44
• TPSA: 331.60 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 24
• Rotatable Bonds: 39
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1734.94
LogP ≤ 5	10.44
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of [3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]methanol;(4S)-4-[4-[[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]phenyl]-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]azetidin-2-one?

The IUPAC name of [3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]methanol;(4S)-4-[4-[[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]phenyl]-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]azetidin-2-one (CID 158087780) is [3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]methanol;(4S)-4-[4-[[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]phenyl]-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]azetidin-2-one.

What is the SMILES notation for [3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]methanol;(4S)-4-[4-[[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]phenyl]-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]azetidin-2-one?

The canonical SMILES for [3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]methanol;(4S)-4-[4-[[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]phenyl]-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]azetidin-2-one is O=C1C(CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(OCC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)cc2)N1c1ccc(F)cc1.OCC1OC(COCc2ccccc2)C(OC2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1.

What is the InChIKey of [3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]methanol;(4S)-4-[4-[[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]phenyl]-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]azetidin-2-one?

The InChIKey is FNSLNAMNJRZKRH-IDDBSYPESA-N. The full InChI is InChI=1S/C62H66O11.C37H43F2NO13/c63-36-53-56(66-39-48-26-12-3-13-27-48)59(68-41-50-30-16-5-17-31-50)58(55(71-53)45-65-38-47-24-10-2-11-25-47)73-62-61(70-43-52-34-20-7-21-35-52)60(69-42-51-32-18-6-19-33-51)57(67-40-49-28-14-4-15-29-49)54(72-62)44-64-37-46-22-8-1-9-23-46;38-20-5-1-18(2-6-20)25(43)14-13-24-29(40(36(24)49)22-9-7-21(39)8-10-22)19-3-11-23(12-4-19)50-17-28-31(45)33(47)35(27(16-42)51-28)53-37-34(48)32(46)30(44)26(15-41)52-37/h1-35,53-63H,36-45H2;1-12,24-35,37,41-48H,13-17H2/t;24?,25-,26?,27?,28?,29+,30?,31?,32?,33?,34?,35?,37?/m.0/s1.

What are the key properties of [3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]methanol;(4S)-4-[4-[[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]phenyl]-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]azetidin-2-one?

[3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]methanol;(4S)-4-[4-[[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]phenyl]-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]azetidin-2-one has a molecular weight of 1734.94 g/mol, XLogP of 10.44, 39 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for [3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]methanol;(4S)-4-[4-[[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]phenyl]-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]azetidin-2-one is sourced from PubChem (CID 158087780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).