(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[4-(hydroxymethyl)phenyl]-2-oxoethyl]-1-[2-oxo-1-(triphenyl-λ5-phosphanylidene)hex-5-enyl]azetidin-2-one;(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethyl]-1-[2-oxo-1-(triphenyl-λ5-phosphanylidene)hex-5-enyl]azetidin-2-one;(3S,4R)-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethyl]-1-[2-oxo-1-(triphenyl-λ5-phosphanylidene)hex-5-enyl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one

C137H164N5O15P3Si3 — CID 160724345

IUPAC(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[4-(hydroxymethyl)phenyl]-2-oxoethyl]-1-[2-oxo-1-(triphenyl-λ5-phosphanylidene)hex-5-enyl]azetidin-2-one;(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethyl]-1-[2-oxo-1-(triphenyl-λ5-phosphanylidene)hex-5-enyl]azetidin-2-one;(3S,4R)-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethyl]-1-[2-oxo-1-(triphenyl-λ5-phosphanylidene)hex-5-enyl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one
SMILESC=CCCC(=O)C(N1C(=O)[C@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)[C@H]1CC(=O)c1ccc(CN2CCOCC2)cc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1.C=CCCC(=O)C(N1C(=O)[C@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)[C@H]1CC(=O)c1ccc(CO)cc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1.C=CCCC(=O)C(N1C(=O)[C@H]([C@@H](C)O[Si](C)(C)C)[C@H]1CC(=O)c1ccc(CN2CCOCC2)cc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C48H59N2O5PSi.C45H53N2O5PSi.C44H52NO5PSi/c1-8-9-25-43(51)47(56(39-19-13-10-14-20-39,40-21-15-11-16-22-40)41-23-17-12-18-24-41)50-42(45(46(50)53)36(2)55-57(6,7)48(3,4)5)34-44(52)38-28-26-37(27-29-38)35-49-30-32-54-33-31-49;1-6-7-23-41(48)45(53(37-17-11-8-12-18-37,38-19-13-9-14-20-38)39-21-15-10-16-22-39)47-40(43(44(47)50)34(2)52-54(3,4)5)32-42(49)36-26-24-35(25-27-36)33-46-28-30-51-31-29-46;1-8-9-25-39(47)43(51(35-19-13-10-14-20-35,36-21-15-11-16-22-36)37-23-17-12-18-24-37)45-38(30-40(48)34-28-26-33(31-46)27-29-34)41(42(45)49)32(2)50-52(6,7)44(3,4)5/h8,10-24,26-29,36,42,45H,1,9,25,30-35H2,2-7H3;6,8-22,24-27,34,40,43H,1,7,23,28-33H2,2-5H3;8,10-24,26-29,32,38,41,46H,1,9,25,30-31H2,2-7H3/t36-,42-,45-;34-,40-,43-;32-,38-,41-/m111/s1
InChIKeyRTMXRQBPOOKZHI-VYHGXWCPSA-N
MW2298.02 g/mol
LogP22.45
Rot. Bonds47

About (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[4-(hydroxymethyl)phenyl]-2-oxoethyl]-1-[2-oxo-1-(triphenyl-λ5-phosphanylidene)hex-5-enyl]azetidin-2-one;(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethyl]-1-[2-oxo-1-(triphenyl-λ5-phosphanylidene)hex-5-enyl]azetidin-2-one;(3S,4R)-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethyl]-1-[2-oxo-1-(triphenyl-λ5-phosphanylidene)hex-5-enyl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one

(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[4-(hydroxymethyl)phenyl]-2-oxoethyl]-1-[2-oxo-1-(triphenyl-λ5-phosphanylidene)hex-5-enyl]azetidin-2-one;(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethyl]-1-[2-oxo-1-(triphenyl-λ5-phosphanylidene)hex-5-enyl]azetidin-2-one;(3S,4R)-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethyl]-1-[2-oxo-1-(triphenyl-λ5-phosphanylidene)hex-5-enyl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one (PubChem CID 160724345) has the molecular formula C137H164N5O15P3Si3 and a molecular weight of 2298.02 g/mol. Its IUPAC name is (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[4-(hydroxymethyl)phenyl]-2-oxoethyl]-1-[2-oxo-1-(triphenyl-λ5-phosphanylidene)hex-5-enyl]azetidin-2-one;(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethyl]-1-[2-oxo-1-(triphenyl-λ5-phosphanylidene)hex-5-enyl]azetidin-2-one;(3S,4R)-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethyl]-1-[2-oxo-1-(triphenyl-λ5-phosphanylidene)hex-5-enyl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[4-(hydroxymethyl)phenyl]-2-oxoethyl]-1-[2-oxo-1-(triphenyl-λ5-phosphanylidene)hex-5-enyl]azetidin-2-one;(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethyl]-1-[2-oxo-1-(triphenyl-λ5-phosphanylidene)hex-5-enyl]azetidin-2-one;(3S,4R)-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethyl]-1-[2-oxo-1-(triphenyl-λ5-phosphanylidene)hex-5-enyl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one
PubChem CID160724345
Molecular FormulaC137H164N5O15P3Si3
Molecular Weight2298.02 g/mol
Exact Mass2296.07
IUPAC Name(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[4-(hydroxymethyl)phenyl]-2-oxoethyl]-1-[2-oxo-1-(triphenyl-λ5-phosphanylidene)hex-5-enyl]azetidin-2-one;(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethyl]-1-[2-oxo-1-(triphenyl-λ5-phosphanylidene)hex-5-enyl]azetidin-2-one;(3S,4R)-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethyl]-1-[2-oxo-1-(triphenyl-λ5-phosphanylidene)hex-5-enyl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one
SMILESC=CCCC(=O)C(N1C(=O)[C@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)[C@H]1CC(=O)c1ccc(CN2CCOCC2)cc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1.C=CCCC(=O)C(N1C(=O)[C@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)[C@H]1CC(=O)c1ccc(CO)cc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1.C=CCCC(=O)C(N1C(=O)[C@H]([C@@H](C)O[Si](C)(C)C)[C@H]1CC(=O)c1ccc(CN2CCOCC2)cc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C48H59N2O5PSi.C45H53N2O5PSi.C44H52NO5PSi/c1-8-9-25-43(51)47(56(39-19-13-10-14-20-39,40-21-15-11-16-22-40)41-23-17-12-18-24-41)50-42(45(46(50)53)36(2)55-57(6,7)48(3,4)5)34-44(52)38-28-26-37(27-29-38)35-49-30-32-54-33-31-49;1-6-7-23-41(48)45(53(37-17-11-8-12-18-37,38-19-13-9-14-20-38)39-21-15-10-16-22-39)47-40(43(44(47)50)34(2)52-54(3,4)5)32-42(49)36-26-24-35(25-27-36)33-46-28-30-51-31-29-46;1-8-9-25-39(47)43(51(35-19-13-10-14-20-35,36-21-15-11-16-22-36)37-23-17-12-18-24-37)45-38(30-40(48)34-28-26-33(31-46)27-29-34)41(42(45)49)32(2)50-52(6,7)44(3,4)5/h8,10-24,26-29,36,42,45H,1,9,25,30-35H2,2-7H3;6,8-22,24-27,34,40,43H,1,7,23,28-33H2,2-5H3;8,10-24,26-29,32,38,41,46H,1,9,25,30-31H2,2-7H3/t36-,42-,45-;34-,40-,43-;32-,38-,41-/m111/s1
InChIKeyRTMXRQBPOOKZHI-VYHGXWCPSA-N
XLogP22.45
TPSA236.21 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds47
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002298.02
LogP ≤ 522.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

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'}

Analyze (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[4-(hydroxymethyl)phenyl]-2-oxoethyl]-1-[2-oxo-1-(triphenyl-λ5-phosphanylidene)hex-5-enyl]azetidin-2-one;(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethyl]-1-[2-oxo-1-(triphenyl-λ5-phosphanylidene)hex-5-enyl]azetidin-2-one;(3S,4R)-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethyl]-1-[2-oxo-1-(triphenyl-λ5-phosphanylidene)hex-5-enyl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

2-[(2R,3S)-2-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethyl]-4-oxo-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetic acid
CID 87829099
2-[diphenyl-(2-prop-2-enylphenyl)-λ5-phosphanylidene]-2-[(2R,3S)-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-2-oxoethyl]-4-oxo-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]acetic acid
CID 87678372
prop-2-enyl 2-[(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-4-[2-oxo-2-[4-[2-oxo-2-(pyridin-4-ylamino)ethyl]phenyl]ethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate
CID 58844349
prop-2-enyl 2-[(2R,3S)-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[2-[4-(ethylcarbamoylamino)phenyl]-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate
CID 173497361
prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate
CID 58844183
2-[4-[2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxo-1-[2-oxo-2-prop-2-enoxy-1-(triphenyl-λ5-phosphanylidene)ethyl]azetidin-2-yl]acetyl]-2-(prop-2-enoxycarbonylamino)phenyl]acetic acid
CID 87924321
prop-2-enyl 2-[(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-4-[2-oxo-2-[1-(2-phenylethyl)triazol-4-yl]ethyl]azetidin-1-yl]-2-(triphenyl-lambda5-phosphanylidene)acetate
CID 10509558
prop-2-enyl 2-[(2R,3R)-2-[2-[4-(aminomethyl)phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3R)-2-[2-[4-(formamidomethyl)phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-hydroxyethyl]-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl 2-[(2R,3R)-2-[2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoethyl]-4-oxo-3-propan-2-ylazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate
CID 90879346
prop-2-enyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[2-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-2-oxoethyl]-4-oxoazetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate
CID 10628856
prop-2-enyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;prop-2-enyl 2-[(2R,3S)-2-[2-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-oxoethyl]-4-oxo-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetate;prop-2-enyl (5R,6S)-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-7-oxo-6-[(1R)-1-trimethylsilyloxyethyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
CID 160925833
[2-[(2R,3S)-2-[2-[4-(methylcarbamoyl)phenyl]-2-oxoethyl]-4-oxo-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-1-yl]-2-(triphenyl-λ5-phosphanylidene)acetyl] 4-nitrobenzoate
CID 58714243
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

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[4-(hydroxymethyl)phenyl]-2-oxoethyl]-1-[2-oxo-1-(triphenyl-λ5-phosphanylidene)hex-5-enyl]azetidin-2-one;(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethyl]-1-[2-oxo-1-(triphenyl-λ5-phosphanylidene)hex-5-enyl]azetidin-2-one;(3S,4R)-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethyl]-1-[2-oxo-1-(triphenyl-λ5-phosphanylidene)hex-5-enyl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one?
The IUPAC name of (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[4-(hydroxymethyl)phenyl]-2-oxoethyl]-1-[2-oxo-1-(triphenyl-λ5-phosphanylidene)hex-5-enyl]azetidin-2-one;(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethyl]-1-[2-oxo-1-(triphenyl-λ5-phosphanylidene)hex-5-enyl]azetidin-2-one;(3S,4R)-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethyl]-1-[2-oxo-1-(triphenyl-λ5-phosphanylidene)hex-5-enyl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one (CID 160724345) is (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[4-(hydroxymethyl)phenyl]-2-oxoethyl]-1-[2-oxo-1-(triphenyl-λ5-phosphanylidene)hex-5-enyl]azetidin-2-one;(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethyl]-1-[2-oxo-1-(triphenyl-λ5-phosphanylidene)hex-5-enyl]azetidin-2-one;(3S,4R)-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethyl]-1-[2-oxo-1-(triphenyl-λ5-phosphanylidene)hex-5-enyl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one.
What is the SMILES notation for (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[4-(hydroxymethyl)phenyl]-2-oxoethyl]-1-[2-oxo-1-(triphenyl-λ5-phosphanylidene)hex-5-enyl]azetidin-2-one;(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethyl]-1-[2-oxo-1-(triphenyl-λ5-phosphanylidene)hex-5-enyl]azetidin-2-one;(3S,4R)-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethyl]-1-[2-oxo-1-(triphenyl-λ5-phosphanylidene)hex-5-enyl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one?
The canonical SMILES for (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[4-(hydroxymethyl)phenyl]-2-oxoethyl]-1-[2-oxo-1-(triphenyl-λ5-phosphanylidene)hex-5-enyl]azetidin-2-one;(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethyl]-1-[2-oxo-1-(triphenyl-λ5-phosphanylidene)hex-5-enyl]azetidin-2-one;(3S,4R)-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethyl]-1-[2-oxo-1-(triphenyl-λ5-phosphanylidene)hex-5-enyl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one is C=CCCC(=O)C(N1C(=O)[C@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)[C@H]1CC(=O)c1ccc(CN2CCOCC2)cc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1.C=CCCC(=O)C(N1C(=O)[C@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)[C@H]1CC(=O)c1ccc(CO)cc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1.C=CCCC(=O)C(N1C(=O)[C@H]([C@@H](C)O[Si](C)(C)C)[C@H]1CC(=O)c1ccc(CN2CCOCC2)cc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[4-(hydroxymethyl)phenyl]-2-oxoethyl]-1-[2-oxo-1-(triphenyl-λ5-phosphanylidene)hex-5-enyl]azetidin-2-one;(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethyl]-1-[2-oxo-1-(triphenyl-λ5-phosphanylidene)hex-5-enyl]azetidin-2-one;(3S,4R)-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethyl]-1-[2-oxo-1-(triphenyl-λ5-phosphanylidene)hex-5-enyl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one?
The InChIKey is RTMXRQBPOOKZHI-VYHGXWCPSA-N. The full InChI is InChI=1S/C48H59N2O5PSi.C45H53N2O5PSi.C44H52NO5PSi/c1-8-9-25-43(51)47(56(39-19-13-10-14-20-39,40-21-15-11-16-22-40)41-23-17-12-18-24-41)50-42(45(46(50)53)36(2)55-57(6,7)48(3,4)5)34-44(52)38-28-26-37(27-29-38)35-49-30-32-54-33-31-49;1-6-7-23-41(48)45(53(37-17-11-8-12-18-37,38-19-13-9-14-20-38)39-21-15-10-16-22-39)47-40(43(44(47)50)34(2)52-54(3,4)5)32-42(49)36-26-24-35(25-27-36)33-46-28-30-51-31-29-46;1-8-9-25-39(47)43(51(35-19-13-10-14-20-35,36-21-15-11-16-22-36)37-23-17-12-18-24-37)45-38(30-40(48)34-28-26-33(31-46)27-29-34)41(42(45)49)32(2)50-52(6,7)44(3,4)5/h8,10-24,26-29,36,42,45H,1,9,25,30-35H2,2-7H3;6,8-22,24-27,34,40,43H,1,7,23,28-33H2,2-5H3;8,10-24,26-29,32,38,41,46H,1,9,25,30-31H2,2-7H3/t36-,42-,45-;34-,40-,43-;32-,38-,41-/m111/s1.
What are the key properties of (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[4-(hydroxymethyl)phenyl]-2-oxoethyl]-1-[2-oxo-1-(triphenyl-λ5-phosphanylidene)hex-5-enyl]azetidin-2-one;(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethyl]-1-[2-oxo-1-(triphenyl-λ5-phosphanylidene)hex-5-enyl]azetidin-2-one;(3S,4R)-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethyl]-1-[2-oxo-1-(triphenyl-λ5-phosphanylidene)hex-5-enyl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one?
(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[4-(hydroxymethyl)phenyl]-2-oxoethyl]-1-[2-oxo-1-(triphenyl-λ5-phosphanylidene)hex-5-enyl]azetidin-2-one;(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethyl]-1-[2-oxo-1-(triphenyl-λ5-phosphanylidene)hex-5-enyl]azetidin-2-one;(3S,4R)-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethyl]-1-[2-oxo-1-(triphenyl-λ5-phosphanylidene)hex-5-enyl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one has a molecular weight of 2298.02 g/mol, XLogP of 22.45, 47 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[4-(hydroxymethyl)phenyl]-2-oxoethyl]-1-[2-oxo-1-(triphenyl-λ5-phosphanylidene)hex-5-enyl]azetidin-2-one;(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethyl]-1-[2-oxo-1-(triphenyl-λ5-phosphanylidene)hex-5-enyl]azetidin-2-one;(3S,4R)-4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethyl]-1-[2-oxo-1-(triphenyl-λ5-phosphanylidene)hex-5-enyl]-3-[(1R)-1-trimethylsilyloxyethyl]azetidin-2-one is sourced from PubChem (CID 160724345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).