4-[[4-[[(2R,6S)-6-(3-chlorophenyl)-4,4-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;4-[[4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;4-[[4-[[(2S,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;ethyl (2R)-2-[[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-[[4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]-3,5-dimethylphenoxy]methyl]phosphoryl]amino]propanoate;ethyl (2S)-2-[[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-[[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-diiodophenoxy]methyl]phosphoryl]amino]propanoate

C153H175Cl3F3I2N4O30P5 — CID 159899252

IUPAC4-[[4-[[(2R,6S)-6-(3-chlorophenyl)-4,4-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;4-[[4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;4-[[4-[[(2S,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;ethyl (2R)-2-[[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-[[4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]-3,5-dimethylphenoxy]methyl]phosphoryl]amino]propanoate;ethyl (2S)-2-[[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-[[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-diiodophenoxy]methyl]phosphoryl]amino]propanoate
SMILESCCOC(=O)[C@H](C)NP(=O)(COc1cc(C)c(Cc2ccc(O)c(Cc3ccc(F)cc3)c2)c(C)c1)N[C@H](C)C(=O)OCC.CCOC(=O)[C@H](C)NP(=O)(COc1cc(I)c(Oc2ccc(O)c(C(C)C)c2)c(I)c1)N[C@@H](C)C(=O)OCC.Cc1cc(OC[P@@]2(=O)OCC[C@@H](c3cccc(Cl)c3)O2)cc(C)c1Cc1ccc(O)c(Cc2ccc(F)cc2)c1.Cc1cc(OC[P@@]2(=O)O[C@H](c3cccc(Cl)c3)CC(C)(C)O2)cc(C)c1Cc1ccc(O)c(C(C)C)c1.Cc1cc(OC[P@]2(=O)OCC[C@@H](c3cccc(Cl)c3)O2)cc(C)c1Cc1ccc(O)c(Cc2ccc(F)cc2)c1
InChIInChI=1S/C33H42FN2O7P.2C32H31ClFO5P.C30H36ClO5P.C26H35I2N2O8P/c1-7-41-32(38)23(5)35-44(40,36-24(6)33(39)42-8-2)20-43-29-15-21(3)30(22(4)16-29)19-26-11-14-31(37)27(18-26)17-25-9-12-28(34)13-10-25;2*1-21-14-29(37-20-40(36)38-13-12-32(39-40)25-4-3-5-27(33)19-25)15-22(2)30(21)18-24-8-11-31(35)26(17-24)16-23-6-9-28(34)10-7-23;1-19(2)26-14-22(10-11-28(26)32)15-27-20(3)12-25(13-21(27)4)34-18-37(33)35-29(17-30(5,6)36-37)23-8-7-9-24(31)16-23;1-7-35-25(32)16(5)29-39(34,30-17(6)26(33)36-8-2)14-37-19-12-21(27)24(22(28)13-19)38-18-9-10-23(31)20(11-18)15(3)4/h9-16,18,23-24,37H,7-8,17,19-20H2,1-6H3,(H2,35,36,40);2*3-11,14-15,17,19,32,35H,12-13,16,18,20H2,1-2H3;7-14,16,19,29,32H,15,17-18H2,1-6H3;9-13,15-17,31H,7-8,14H2,1-6H3,(H2,29,30,34)/t23-,24+,44?;32-,40+;32-,40-;29-,37+;16-,17-/m.0000/s1
InChIKeyNVSYRPPCXUMZBC-GUUUPLQESA-N
MW3122.11 g/mol
LogP38.31
Rot. Bonds52

About 4-[[4-[[(2R,6S)-6-(3-chlorophenyl)-4,4-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;4-[[4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;4-[[4-[[(2S,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;ethyl (2R)-2-[[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-[[4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]-3,5-dimethylphenoxy]methyl]phosphoryl]amino]propanoate;ethyl (2S)-2-[[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-[[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-diiodophenoxy]methyl]phosphoryl]amino]propanoate

4-[[4-[[(2R,6S)-6-(3-chlorophenyl)-4,4-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;4-[[4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;4-[[4-[[(2S,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;ethyl (2R)-2-[[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-[[4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]-3,5-dimethylphenoxy]methyl]phosphoryl]amino]propanoate;ethyl (2S)-2-[[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-[[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-diiodophenoxy]methyl]phosphoryl]amino]propanoate (PubChem CID 159899252) has the molecular formula C153H175Cl3F3I2N4O30P5 and a molecular weight of 3122.11 g/mol. Its IUPAC name is 4-[[4-[[(2R,6S)-6-(3-chlorophenyl)-4,4-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;4-[[4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;4-[[4-[[(2S,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;ethyl (2R)-2-[[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-[[4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]-3,5-dimethylphenoxy]methyl]phosphoryl]amino]propanoate;ethyl (2S)-2-[[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-[[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-diiodophenoxy]methyl]phosphoryl]amino]propanoate.

Molecular Properties

Compound Name4-[[4-[[(2R,6S)-6-(3-chlorophenyl)-4,4-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;4-[[4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;4-[[4-[[(2S,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;ethyl (2R)-2-[[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-[[4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]-3,5-dimethylphenoxy]methyl]phosphoryl]amino]propanoate;ethyl (2S)-2-[[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-[[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-diiodophenoxy]methyl]phosphoryl]amino]propanoate
PubChem CID159899252
Molecular FormulaC153H175Cl3F3I2N4O30P5
Molecular Weight3122.11 g/mol
Exact Mass3118.81
IUPAC Name4-[[4-[[(2R,6S)-6-(3-chlorophenyl)-4,4-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;4-[[4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;4-[[4-[[(2S,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;ethyl (2R)-2-[[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-[[4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]-3,5-dimethylphenoxy]methyl]phosphoryl]amino]propanoate;ethyl (2S)-2-[[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-[[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-diiodophenoxy]methyl]phosphoryl]amino]propanoate
SMILESCCOC(=O)[C@H](C)NP(=O)(COc1cc(C)c(Cc2ccc(O)c(Cc3ccc(F)cc3)c2)c(C)c1)N[C@H](C)C(=O)OCC.CCOC(=O)[C@H](C)NP(=O)(COc1cc(I)c(Oc2ccc(O)c(C(C)C)c2)c(I)c1)N[C@@H](C)C(=O)OCC.Cc1cc(OC[P@@]2(=O)OCC[C@@H](c3cccc(Cl)c3)O2)cc(C)c1Cc1ccc(O)c(Cc2ccc(F)cc2)c1.Cc1cc(OC[P@@]2(=O)O[C@H](c3cccc(Cl)c3)CC(C)(C)O2)cc(C)c1Cc1ccc(O)c(C(C)C)c1.Cc1cc(OC[P@]2(=O)OCC[C@@H](c3cccc(Cl)c3)O2)cc(C)c1Cc1ccc(O)c(Cc2ccc(F)cc2)c1
InChIInChI=1S/C33H42FN2O7P.2C32H31ClFO5P.C30H36ClO5P.C26H35I2N2O8P/c1-7-41-32(38)23(5)35-44(40,36-24(6)33(39)42-8-2)20-43-29-15-21(3)30(22(4)16-29)19-26-11-14-31(37)27(18-26)17-25-9-12-28(34)13-10-25;2*1-21-14-29(37-20-40(36)38-13-12-32(39-40)25-4-3-5-27(33)19-25)15-22(2)30(21)18-24-8-11-31(35)26(17-24)16-23-6-9-28(34)10-7-23;1-19(2)26-14-22(10-11-28(26)32)15-27-20(3)12-25(13-21(27)4)34-18-37(33)35-29(17-30(5,6)36-37)23-8-7-9-24(31)16-23;1-7-35-25(32)16(5)29-39(34,30-17(6)26(33)36-8-2)14-37-19-12-21(27)24(22(28)13-19)38-18-9-10-23(31)20(11-18)15(3)4/h9-16,18,23-24,37H,7-8,17,19-20H2,1-6H3,(H2,35,36,40);2*3-11,14-15,17,19,32,35H,12-13,16,18,20H2,1-2H3;7-14,16,19,29,32H,15,17-18H2,1-6H3;9-13,15-17,31H,7-8,14H2,1-6H3,(H2,29,30,34)/t23-,24+,44?;32-,40+;32-,40-;29-,37+;16-,17-/m.0000/s1
InChIKeyNVSYRPPCXUMZBC-GUUUPLQESA-N
XLogP38.31
TPSA450.58 Ų
H-Bond Donors9
H-Bond Acceptors30
Rotatable Bonds52
Heavy Atoms200
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003122.11
LogP ≤ 538.31
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 4-[[4-[[(2R,6S)-6-(3-chlorophenyl)-4,4-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;4-[[4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;4-[[4-[[(2S,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;ethyl (2R)-2-[[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-[[4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]-3,5-dimethylphenoxy]methyl]phosphoryl]amino]propanoate;ethyl (2S)-2-[[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-[[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-diiodophenoxy]methyl]phosphoryl]amino]propanoate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[(2R,6S)-6-(3-chlorophenyl)-4,4-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;4-[[4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;4-[[4-[[(2S,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;ethyl (2R)-2-[[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-[[4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]-3,5-dimethylphenoxy]methyl]phosphoryl]amino]propanoate;ethyl (2S)-2-[[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-[[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-diiodophenoxy]methyl]phosphoryl]amino]propanoate?
The IUPAC name of 4-[[4-[[(2R,6S)-6-(3-chlorophenyl)-4,4-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;4-[[4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;4-[[4-[[(2S,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;ethyl (2R)-2-[[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-[[4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]-3,5-dimethylphenoxy]methyl]phosphoryl]amino]propanoate;ethyl (2S)-2-[[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-[[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-diiodophenoxy]methyl]phosphoryl]amino]propanoate (CID 159899252) is 4-[[4-[[(2R,6S)-6-(3-chlorophenyl)-4,4-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;4-[[4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;4-[[4-[[(2S,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;ethyl (2R)-2-[[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-[[4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]-3,5-dimethylphenoxy]methyl]phosphoryl]amino]propanoate;ethyl (2S)-2-[[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-[[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-diiodophenoxy]methyl]phosphoryl]amino]propanoate.
What is the SMILES notation for 4-[[4-[[(2R,6S)-6-(3-chlorophenyl)-4,4-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;4-[[4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;4-[[4-[[(2S,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;ethyl (2R)-2-[[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-[[4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]-3,5-dimethylphenoxy]methyl]phosphoryl]amino]propanoate;ethyl (2S)-2-[[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-[[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-diiodophenoxy]methyl]phosphoryl]amino]propanoate?
The canonical SMILES for 4-[[4-[[(2R,6S)-6-(3-chlorophenyl)-4,4-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;4-[[4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;4-[[4-[[(2S,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;ethyl (2R)-2-[[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-[[4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]-3,5-dimethylphenoxy]methyl]phosphoryl]amino]propanoate;ethyl (2S)-2-[[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-[[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-diiodophenoxy]methyl]phosphoryl]amino]propanoate is CCOC(=O)[C@H](C)NP(=O)(COc1cc(C)c(Cc2ccc(O)c(Cc3ccc(F)cc3)c2)c(C)c1)N[C@H](C)C(=O)OCC.CCOC(=O)[C@H](C)NP(=O)(COc1cc(I)c(Oc2ccc(O)c(C(C)C)c2)c(I)c1)N[C@@H](C)C(=O)OCC.Cc1cc(OC[P@@]2(=O)OCC[C@@H](c3cccc(Cl)c3)O2)cc(C)c1Cc1ccc(O)c(Cc2ccc(F)cc2)c1.Cc1cc(OC[P@@]2(=O)O[C@H](c3cccc(Cl)c3)CC(C)(C)O2)cc(C)c1Cc1ccc(O)c(C(C)C)c1.Cc1cc(OC[P@]2(=O)OCC[C@@H](c3cccc(Cl)c3)O2)cc(C)c1Cc1ccc(O)c(Cc2ccc(F)cc2)c1.
What is the InChIKey of 4-[[4-[[(2R,6S)-6-(3-chlorophenyl)-4,4-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;4-[[4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;4-[[4-[[(2S,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;ethyl (2R)-2-[[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-[[4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]-3,5-dimethylphenoxy]methyl]phosphoryl]amino]propanoate;ethyl (2S)-2-[[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-[[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-diiodophenoxy]methyl]phosphoryl]amino]propanoate?
The InChIKey is NVSYRPPCXUMZBC-GUUUPLQESA-N. The full InChI is InChI=1S/C33H42FN2O7P.2C32H31ClFO5P.C30H36ClO5P.C26H35I2N2O8P/c1-7-41-32(38)23(5)35-44(40,36-24(6)33(39)42-8-2)20-43-29-15-21(3)30(22(4)16-29)19-26-11-14-31(37)27(18-26)17-25-9-12-28(34)13-10-25;2*1-21-14-29(37-20-40(36)38-13-12-32(39-40)25-4-3-5-27(33)19-25)15-22(2)30(21)18-24-8-11-31(35)26(17-24)16-23-6-9-28(34)10-7-23;1-19(2)26-14-22(10-11-28(26)32)15-27-20(3)12-25(13-21(27)4)34-18-37(33)35-29(17-30(5,6)36-37)23-8-7-9-24(31)16-23;1-7-35-25(32)16(5)29-39(34,30-17(6)26(33)36-8-2)14-37-19-12-21(27)24(22(28)13-19)38-18-9-10-23(31)20(11-18)15(3)4/h9-16,18,23-24,37H,7-8,17,19-20H2,1-6H3,(H2,35,36,40);2*3-11,14-15,17,19,32,35H,12-13,16,18,20H2,1-2H3;7-14,16,19,29,32H,15,17-18H2,1-6H3;9-13,15-17,31H,7-8,14H2,1-6H3,(H2,29,30,34)/t23-,24+,44?;32-,40+;32-,40-;29-,37+;16-,17-/m.0000/s1.
What are the key properties of 4-[[4-[[(2R,6S)-6-(3-chlorophenyl)-4,4-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;4-[[4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;4-[[4-[[(2S,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;ethyl (2R)-2-[[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-[[4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]-3,5-dimethylphenoxy]methyl]phosphoryl]amino]propanoate;ethyl (2S)-2-[[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-[[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-diiodophenoxy]methyl]phosphoryl]amino]propanoate?
4-[[4-[[(2R,6S)-6-(3-chlorophenyl)-4,4-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;4-[[4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;4-[[4-[[(2S,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;ethyl (2R)-2-[[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-[[4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]-3,5-dimethylphenoxy]methyl]phosphoryl]amino]propanoate;ethyl (2S)-2-[[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-[[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-diiodophenoxy]methyl]phosphoryl]amino]propanoate has a molecular weight of 3122.11 g/mol, XLogP of 38.31, 52 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[(2R,6S)-6-(3-chlorophenyl)-4,4-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;4-[[4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;4-[[4-[[(2S,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol;ethyl (2R)-2-[[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-[[4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]-3,5-dimethylphenoxy]methyl]phosphoryl]amino]propanoate;ethyl (2S)-2-[[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-[[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-diiodophenoxy]methyl]phosphoryl]amino]propanoate is sourced from PubChem (CID 159899252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).