prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-2-[2-(4-methylphenyl)-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl (5R,6S)-3-(4-methylphenyl)-7-oxo-6-[(1R)-1-trimethylsilyloxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

C59H65N2O9PSi — CID 91609804

About prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-2-[2-(4-methylphenyl)-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl (5R,6S)-3-(4-methylphenyl)-7-oxo-6-[(1R)-1-trimethylsilyloxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-2-[2-(4-methylphenyl)-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl (5R,6S)-3-(4-methylphenyl)-7-oxo-6-[(1R)-1-trimethylsilyloxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate (PubChem CID 91609804) has the molecular formula C59H65N2O9PSi and a molecular weight of 1005.23 g/mol. Its IUPAC name is prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-2-[2-(4-methylphenyl)-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl (5R,6S)-3-(4-methylphenyl)-7-oxo-6-[(1R)-1-trimethylsilyloxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate.

Molecular Properties

• Compound Name: prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-2-[2-(4-methylphenyl)-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl (5R,6S)-3-(4-methylphenyl)-7-oxo-6-[(1R)-1-trimethylsilyloxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
• PubChem CID: 91609804
• Molecular Formula: C59H65N2O9PSi
• Molecular Weight: 1005.23 g/mol
• Exact Mass: 1004.42
• IUPAC Name: prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-2-[2-(4-methylphenyl)-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl (5R,6S)-3-(4-methylphenyl)-7-oxo-6-[(1R)-1-trimethylsilyloxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
• SMILES: C=CCOC(=O)C(N1C(=O)[C@H]([C@@H](C)O)[C@H]1CC(=O)c1ccc(C)cc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1.C=CCOC(=O)C1=C(c2ccc(C)cc2)C[C@@H]2[C@@H]([C@@H](C)O[Si](C)(C)C)C(=O)N12
• InChI: InChI=1S/C37H36NO5P.C22H29NO4Si/c1-4-24-43-37(42)36(38-32(34(27(3)39)35(38)41)25-33(40)28-22-20-26(2)21-23-28)44(29-14-8-5-9-15-29,30-16-10-6-11-17-30)31-18-12-7-13-19-31;1-7-12-26-22(25)20-17(16-10-8-14(2)9-11-16)13-18-19(21(24)23(18)20)15(3)27-28(4,5)6/h4-23,27,32,34,39H,1,24-25H2,2-3H3;7-11,15,18-19H,1,12-13H2,2-6H3/t27-,32-,34-;15-,18-,19-/m11/s1
• InChIKey: PRPRYXNXWLCIJQ-ZLEWZDLFSA-N
• XLogP: 8.53
• TPSA: 139.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 18
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1005.23
LogP ≤ 5	8.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-2-[2-(4-methylphenyl)-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl (5R,6S)-3-(4-methylphenyl)-7-oxo-6-[(1R)-1-trimethylsilyloxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate?

The IUPAC name of prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-2-[2-(4-methylphenyl)-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl (5R,6S)-3-(4-methylphenyl)-7-oxo-6-[(1R)-1-trimethylsilyloxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate (CID 91609804) is prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-2-[2-(4-methylphenyl)-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl (5R,6S)-3-(4-methylphenyl)-7-oxo-6-[(1R)-1-trimethylsilyloxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate.

What is the SMILES notation for prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-2-[2-(4-methylphenyl)-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl (5R,6S)-3-(4-methylphenyl)-7-oxo-6-[(1R)-1-trimethylsilyloxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate?

The canonical SMILES for prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-2-[2-(4-methylphenyl)-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl (5R,6S)-3-(4-methylphenyl)-7-oxo-6-[(1R)-1-trimethylsilyloxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate is C=CCOC(=O)C(N1C(=O)[C@H]([C@@H](C)O)[C@H]1CC(=O)c1ccc(C)cc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1.C=CCOC(=O)C1=C(c2ccc(C)cc2)C[C@@H]2[C@@H]([C@@H](C)O[Si](C)(C)C)C(=O)N12.

What is the InChIKey of prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-2-[2-(4-methylphenyl)-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl (5R,6S)-3-(4-methylphenyl)-7-oxo-6-[(1R)-1-trimethylsilyloxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate?

The InChIKey is PRPRYXNXWLCIJQ-ZLEWZDLFSA-N. The full InChI is InChI=1S/C37H36NO5P.C22H29NO4Si/c1-4-24-43-37(42)36(38-32(34(27(3)39)35(38)41)25-33(40)28-22-20-26(2)21-23-28)44(29-14-8-5-9-15-29,30-16-10-6-11-17-30)31-18-12-7-13-19-31;1-7-12-26-22(25)20-17(16-10-8-14(2)9-11-16)13-18-19(21(24)23(18)20)15(3)27-28(4,5)6/h4-23,27,32,34,39H,1,24-25H2,2-3H3;7-11,15,18-19H,1,12-13H2,2-6H3/t27-,32-,34-;15-,18-,19-/m11/s1.

What are the key properties of prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-2-[2-(4-methylphenyl)-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl (5R,6S)-3-(4-methylphenyl)-7-oxo-6-[(1R)-1-trimethylsilyloxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate?

prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-2-[2-(4-methylphenyl)-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl (5R,6S)-3-(4-methylphenyl)-7-oxo-6-[(1R)-1-trimethylsilyloxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate has a molecular weight of 1005.23 g/mol, XLogP of 8.53, 18 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-2-[2-(4-methylphenyl)-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl (5R,6S)-3-(4-methylphenyl)-7-oxo-6-[(1R)-1-trimethylsilyloxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate is sourced from PubChem (CID 91609804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).