(3R,4S)-4-[4-(4-dimethoxyphosphorylphenyl)-2-methylphenyl]-3-[(3S)-3-(4-fluorophenyl)butyl]-1-phenylazetidin-2-one;(3R,4S)-4-[4-(4-dimethoxyphosphorylphenyl)-2-methylphenyl]-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-phenylazetidin-2-one;(3R,4S)-4-[4-(4-dimethoxyphosphorylphenyl)-2-phenylmethoxyphenyl]-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-phenylazetidin-2-one;[4-[4-[(2S,3R)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-1-phenylazetidin-2-yl]-3-phenylmethoxyphenyl]phenyl]phosphonic acid

C143H138F4N4O21P4 — CID 91095945

About (3R,4S)-4-[4-(4-dimethoxyphosphorylphenyl)-2-methylphenyl]-3-[(3S)-3-(4-fluorophenyl)butyl]-1-phenylazetidin-2-one;(3R,4S)-4-[4-(4-dimethoxyphosphorylphenyl)-2-methylphenyl]-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-phenylazetidin-2-one;(3R,4S)-4-[4-(4-dimethoxyphosphorylphenyl)-2-phenylmethoxyphenyl]-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-phenylazetidin-2-one;[4-[4-[(2S,3R)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-1-phenylazetidin-2-yl]-3-phenylmethoxyphenyl]phenyl]phosphonic acid

(3R,4S)-4-[4-(4-dimethoxyphosphorylphenyl)-2-methylphenyl]-3-[(3S)-3-(4-fluorophenyl)butyl]-1-phenylazetidin-2-one;(3R,4S)-4-[4-(4-dimethoxyphosphorylphenyl)-2-methylphenyl]-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-phenylazetidin-2-one;(3R,4S)-4-[4-(4-dimethoxyphosphorylphenyl)-2-phenylmethoxyphenyl]-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-phenylazetidin-2-one;[4-[4-[(2S,3R)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-1-phenylazetidin-2-yl]-3-phenylmethoxyphenyl]phenyl]phosphonic acid (PubChem CID 91095945) has the molecular formula C143H138F4N4O21P4 and a molecular weight of 2448.57 g/mol. Its IUPAC name is (3R,4S)-4-[4-(4-dimethoxyphosphorylphenyl)-2-methylphenyl]-3-[(3S)-3-(4-fluorophenyl)butyl]-1-phenylazetidin-2-one;(3R,4S)-4-[4-(4-dimethoxyphosphorylphenyl)-2-methylphenyl]-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-phenylazetidin-2-one;(3R,4S)-4-[4-(4-dimethoxyphosphorylphenyl)-2-phenylmethoxyphenyl]-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-phenylazetidin-2-one;[4-[4-[(2S,3R)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-1-phenylazetidin-2-yl]-3-phenylmethoxyphenyl]phenyl]phosphonic acid.

Molecular Properties

• Compound Name: (3R,4S)-4-[4-(4-dimethoxyphosphorylphenyl)-2-methylphenyl]-3-[(3S)-3-(4-fluorophenyl)butyl]-1-phenylazetidin-2-one;(3R,4S)-4-[4-(4-dimethoxyphosphorylphenyl)-2-methylphenyl]-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-phenylazetidin-2-one;(3R,4S)-4-[4-(4-dimethoxyphosphorylphenyl)-2-phenylmethoxyphenyl]-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-phenylazetidin-2-one;[4-[4-[(2S,3R)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-1-phenylazetidin-2-yl]-3-phenylmethoxyphenyl]phenyl]phosphonic acid
• PubChem CID: 91095945
• Molecular Formula: C143H138F4N4O21P4
• Molecular Weight: 2448.57 g/mol
• Exact Mass: 2446.87
• IUPAC Name: (3R,4S)-4-[4-(4-dimethoxyphosphorylphenyl)-2-methylphenyl]-3-[(3S)-3-(4-fluorophenyl)butyl]-1-phenylazetidin-2-one;(3R,4S)-4-[4-(4-dimethoxyphosphorylphenyl)-2-methylphenyl]-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-phenylazetidin-2-one;(3R,4S)-4-[4-(4-dimethoxyphosphorylphenyl)-2-phenylmethoxyphenyl]-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-phenylazetidin-2-one;[4-[4-[(2S,3R)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-1-phenylazetidin-2-yl]-3-phenylmethoxyphenyl]phenyl]phosphonic acid
• SMILES: COP(=O)(OC)c1ccc(-c2ccc([C@@H]3[C@@H](CC[C@H](C)c4ccc(F)cc4)C(=O)N3c3ccccc3)c(C)c2)cc1.COP(=O)(OC)c1ccc(-c2ccc([C@@H]3[C@@H](CC[C@H](O)c4ccc(F)cc4)C(=O)N3c3ccccc3)c(C)c2)cc1.COP(=O)(OC)c1ccc(-c2ccc([C@@H]3[C@@H](CC[C@H](O)c4ccc(F)cc4)C(=O)N3c3ccccc3)c(OCc3ccccc3)c2)cc1.O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(-c3ccc(P(=O)(O)O)cc3)cc2OCc2ccccc2)N1c1ccccc1
• InChI: InChI=1S/C39H37FNO6P.C37H33FNO6P.C34H35FNO4P.C33H33FNO5P/c1-45-48(44,46-2)33-20-15-28(16-21-33)30-17-22-34(37(25-30)47-26-27-9-5-3-6-10-27)38-35(39(43)41(38)32-11-7-4-8-12-32)23-24-36(42)29-13-18-31(40)19-14-29;38-29-16-11-27(12-17-29)34(40)22-21-33-36(39(37(33)41)30-9-5-2-6-10-30)32-20-15-28(26-13-18-31(19-14-26)46(42,43)44)23-35(32)45-24-25-7-3-1-4-8-25;1-23(25-11-16-28(35)17-12-25)10-20-32-33(36(34(32)37)29-8-6-5-7-9-29)31-21-15-27(22-24(31)2)26-13-18-30(19-14-26)41(38,39-3)40-4;1-22-21-25(23-11-16-28(17-12-23)41(38,39-2)40-3)13-18-29(22)32-30(33(37)35(32)27-7-5-4-6-8-27)19-20-31(36)24-9-14-26(34)15-10-24/h3-22,25,35-36,38,42H,23-24,26H2,1-2H3;1-20,23,33-34,36,40H,21-22,24H2,(H2,42,43,44);5-9,11-19,21-23,32-33H,10,20H2,1-4H3;4-18,21,30-32,36H,19-20H2,1-3H3/t35-,36+,38-;33-,34+,36-;23-,32+,33+;30-,31+,32-/m1101/s1
• InChIKey: ULUDYWRKSPMVBF-HNXAJTNTSA-N
• XLogP: 30.82
• TPSA: 324.51 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 44
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2448.57
LogP ≤ 5	30.82
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-[4-(4-dimethoxyphosphorylphenyl)-2-methylphenyl]-3-[(3S)-3-(4-fluorophenyl)butyl]-1-phenylazetidin-2-one;(3R,4S)-4-[4-(4-dimethoxyphosphorylphenyl)-2-methylphenyl]-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-phenylazetidin-2-one;(3R,4S)-4-[4-(4-dimethoxyphosphorylphenyl)-2-phenylmethoxyphenyl]-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-phenylazetidin-2-one;[4-[4-[(2S,3R)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-1-phenylazetidin-2-yl]-3-phenylmethoxyphenyl]phenyl]phosphonic acid?

The IUPAC name of (3R,4S)-4-[4-(4-dimethoxyphosphorylphenyl)-2-methylphenyl]-3-[(3S)-3-(4-fluorophenyl)butyl]-1-phenylazetidin-2-one;(3R,4S)-4-[4-(4-dimethoxyphosphorylphenyl)-2-methylphenyl]-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-phenylazetidin-2-one;(3R,4S)-4-[4-(4-dimethoxyphosphorylphenyl)-2-phenylmethoxyphenyl]-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-phenylazetidin-2-one;[4-[4-[(2S,3R)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-1-phenylazetidin-2-yl]-3-phenylmethoxyphenyl]phenyl]phosphonic acid (CID 91095945) is (3R,4S)-4-[4-(4-dimethoxyphosphorylphenyl)-2-methylphenyl]-3-[(3S)-3-(4-fluorophenyl)butyl]-1-phenylazetidin-2-one;(3R,4S)-4-[4-(4-dimethoxyphosphorylphenyl)-2-methylphenyl]-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-phenylazetidin-2-one;(3R,4S)-4-[4-(4-dimethoxyphosphorylphenyl)-2-phenylmethoxyphenyl]-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-phenylazetidin-2-one;[4-[4-[(2S,3R)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-1-phenylazetidin-2-yl]-3-phenylmethoxyphenyl]phenyl]phosphonic acid.

What is the SMILES notation for (3R,4S)-4-[4-(4-dimethoxyphosphorylphenyl)-2-methylphenyl]-3-[(3S)-3-(4-fluorophenyl)butyl]-1-phenylazetidin-2-one;(3R,4S)-4-[4-(4-dimethoxyphosphorylphenyl)-2-methylphenyl]-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-phenylazetidin-2-one;(3R,4S)-4-[4-(4-dimethoxyphosphorylphenyl)-2-phenylmethoxyphenyl]-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-phenylazetidin-2-one;[4-[4-[(2S,3R)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-1-phenylazetidin-2-yl]-3-phenylmethoxyphenyl]phenyl]phosphonic acid?

The canonical SMILES for (3R,4S)-4-[4-(4-dimethoxyphosphorylphenyl)-2-methylphenyl]-3-[(3S)-3-(4-fluorophenyl)butyl]-1-phenylazetidin-2-one;(3R,4S)-4-[4-(4-dimethoxyphosphorylphenyl)-2-methylphenyl]-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-phenylazetidin-2-one;(3R,4S)-4-[4-(4-dimethoxyphosphorylphenyl)-2-phenylmethoxyphenyl]-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-phenylazetidin-2-one;[4-[4-[(2S,3R)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-1-phenylazetidin-2-yl]-3-phenylmethoxyphenyl]phenyl]phosphonic acid is COP(=O)(OC)c1ccc(-c2ccc([C@@H]3[C@@H](CC[C@H](C)c4ccc(F)cc4)C(=O)N3c3ccccc3)c(C)c2)cc1.COP(=O)(OC)c1ccc(-c2ccc([C@@H]3[C@@H](CC[C@H](O)c4ccc(F)cc4)C(=O)N3c3ccccc3)c(C)c2)cc1.COP(=O)(OC)c1ccc(-c2ccc([C@@H]3[C@@H](CC[C@H](O)c4ccc(F)cc4)C(=O)N3c3ccccc3)c(OCc3ccccc3)c2)cc1.O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(-c3ccc(P(=O)(O)O)cc3)cc2OCc2ccccc2)N1c1ccccc1.

What is the InChIKey of (3R,4S)-4-[4-(4-dimethoxyphosphorylphenyl)-2-methylphenyl]-3-[(3S)-3-(4-fluorophenyl)butyl]-1-phenylazetidin-2-one;(3R,4S)-4-[4-(4-dimethoxyphosphorylphenyl)-2-methylphenyl]-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-phenylazetidin-2-one;(3R,4S)-4-[4-(4-dimethoxyphosphorylphenyl)-2-phenylmethoxyphenyl]-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-phenylazetidin-2-one;[4-[4-[(2S,3R)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-1-phenylazetidin-2-yl]-3-phenylmethoxyphenyl]phenyl]phosphonic acid?

The InChIKey is ULUDYWRKSPMVBF-HNXAJTNTSA-N. The full InChI is InChI=1S/C39H37FNO6P.C37H33FNO6P.C34H35FNO4P.C33H33FNO5P/c1-45-48(44,46-2)33-20-15-28(16-21-33)30-17-22-34(37(25-30)47-26-27-9-5-3-6-10-27)38-35(39(43)41(38)32-11-7-4-8-12-32)23-24-36(42)29-13-18-31(40)19-14-29;38-29-16-11-27(12-17-29)34(40)22-21-33-36(39(37(33)41)30-9-5-2-6-10-30)32-20-15-28(26-13-18-31(19-14-26)46(42,43)44)23-35(32)45-24-25-7-3-1-4-8-25;1-23(25-11-16-28(35)17-12-25)10-20-32-33(36(34(32)37)29-8-6-5-7-9-29)31-21-15-27(22-24(31)2)26-13-18-30(19-14-26)41(38,39-3)40-4;1-22-21-25(23-11-16-28(17-12-23)41(38,39-2)40-3)13-18-29(22)32-30(33(37)35(32)27-7-5-4-6-8-27)19-20-31(36)24-9-14-26(34)15-10-24/h3-22,25,35-36,38,42H,23-24,26H2,1-2H3;1-20,23,33-34,36,40H,21-22,24H2,(H2,42,43,44);5-9,11-19,21-23,32-33H,10,20H2,1-4H3;4-18,21,30-32,36H,19-20H2,1-3H3/t35-,36+,38-;33-,34+,36-;23-,32+,33+;30-,31+,32-/m1101/s1.

What are the key properties of (3R,4S)-4-[4-(4-dimethoxyphosphorylphenyl)-2-methylphenyl]-3-[(3S)-3-(4-fluorophenyl)butyl]-1-phenylazetidin-2-one;(3R,4S)-4-[4-(4-dimethoxyphosphorylphenyl)-2-methylphenyl]-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-phenylazetidin-2-one;(3R,4S)-4-[4-(4-dimethoxyphosphorylphenyl)-2-phenylmethoxyphenyl]-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-phenylazetidin-2-one;[4-[4-[(2S,3R)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-1-phenylazetidin-2-yl]-3-phenylmethoxyphenyl]phenyl]phosphonic acid?

(3R,4S)-4-[4-(4-dimethoxyphosphorylphenyl)-2-methylphenyl]-3-[(3S)-3-(4-fluorophenyl)butyl]-1-phenylazetidin-2-one;(3R,4S)-4-[4-(4-dimethoxyphosphorylphenyl)-2-methylphenyl]-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-phenylazetidin-2-one;(3R,4S)-4-[4-(4-dimethoxyphosphorylphenyl)-2-phenylmethoxyphenyl]-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-phenylazetidin-2-one;[4-[4-[(2S,3R)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-1-phenylazetidin-2-yl]-3-phenylmethoxyphenyl]phenyl]phosphonic acid has a molecular weight of 2448.57 g/mol, XLogP of 30.82, 44 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4S)-4-[4-(4-dimethoxyphosphorylphenyl)-2-methylphenyl]-3-[(3S)-3-(4-fluorophenyl)butyl]-1-phenylazetidin-2-one;(3R,4S)-4-[4-(4-dimethoxyphosphorylphenyl)-2-methylphenyl]-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-phenylazetidin-2-one;(3R,4S)-4-[4-(4-dimethoxyphosphorylphenyl)-2-phenylmethoxyphenyl]-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-phenylazetidin-2-one;[4-[4-[(2S,3R)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-1-phenylazetidin-2-yl]-3-phenylmethoxyphenyl]phenyl]phosphonic acid is sourced from PubChem (CID 91095945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).