(4-methoxyphenyl)methyl 2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-2-(3-hydroxy-2-oxo-3-phenylpropyl)-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate

C42H40NO7P — CID 10508935

About (4-methoxyphenyl)methyl 2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-2-(3-hydroxy-2-oxo-3-phenylpropyl)-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate

(4-methoxyphenyl)methyl 2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-2-(3-hydroxy-2-oxo-3-phenylpropyl)-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate (PubChem CID 10508935) has the molecular formula C42H40NO7P and a molecular weight of 701.76 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-2-(3-hydroxy-2-oxo-3-phenylpropyl)-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate.

Molecular Properties

• Compound Name: (4-methoxyphenyl)methyl 2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-2-(3-hydroxy-2-oxo-3-phenylpropyl)-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate
• PubChem CID: 10508935
• Molecular Formula: C42H40NO7P
• Molecular Weight: 701.76 g/mol
• Exact Mass: 701.25
• IUPAC Name: (4-methoxyphenyl)methyl 2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-2-(3-hydroxy-2-oxo-3-phenylpropyl)-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate
• SMILES: COc1ccc(COC(=O)C(N2C(=O)[C@H]([C@@H](C)O)[C@H]2CC(=O)C(O)c2ccccc2)=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C42H40NO7P/c1-29(44)38-36(27-37(45)39(46)31-15-7-3-8-16-31)43(40(38)47)41(42(48)50-28-30-23-25-32(49-2)26-24-30)51(33-17-9-4-10-18-33,34-19-11-5-12-20-34)35-21-13-6-14-22-35/h3-26,29,36,38-39,44,46H,27-28H2,1-2H3/t29-,36-,38-,39?/m1/s1
• InChIKey: VZTHZZSNQFYCGI-GSVHCKOBSA-N
• XLogP: 4.76
• TPSA: 113.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	701.76
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-2-(3-hydroxy-2-oxo-3-phenylpropyl)-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate?

The IUPAC name of (4-methoxyphenyl)methyl 2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-2-(3-hydroxy-2-oxo-3-phenylpropyl)-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate (CID 10508935) is (4-methoxyphenyl)methyl 2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-2-(3-hydroxy-2-oxo-3-phenylpropyl)-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate.

What is the SMILES notation for (4-methoxyphenyl)methyl 2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-2-(3-hydroxy-2-oxo-3-phenylpropyl)-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate?

The canonical SMILES for (4-methoxyphenyl)methyl 2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-2-(3-hydroxy-2-oxo-3-phenylpropyl)-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate is COc1ccc(COC(=O)C(N2C(=O)[C@H]([C@@H](C)O)[C@H]2CC(=O)C(O)c2ccccc2)=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of (4-methoxyphenyl)methyl 2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-2-(3-hydroxy-2-oxo-3-phenylpropyl)-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate?

The InChIKey is VZTHZZSNQFYCGI-GSVHCKOBSA-N. The full InChI is InChI=1S/C42H40NO7P/c1-29(44)38-36(27-37(45)39(46)31-15-7-3-8-16-31)43(40(38)47)41(42(48)50-28-30-23-25-32(49-2)26-24-30)51(33-17-9-4-10-18-33,34-19-11-5-12-20-34)35-21-13-6-14-22-35/h3-26,29,36,38-39,44,46H,27-28H2,1-2H3/t29-,36-,38-,39?/m1/s1.

What are the key properties of (4-methoxyphenyl)methyl 2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-2-(3-hydroxy-2-oxo-3-phenylpropyl)-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate?

(4-methoxyphenyl)methyl 2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-2-(3-hydroxy-2-oxo-3-phenylpropyl)-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate has a molecular weight of 701.76 g/mol, XLogP of 4.76, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4-methoxyphenyl)methyl 2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-2-(3-hydroxy-2-oxo-3-phenylpropyl)-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate is sourced from PubChem (CID 10508935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).