[2-[(E)-2-[(4S,6R)-2,2-ditert-butyl-6-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]-1,3-dioxan-4-yl]ethenyl]-3-(4-fluorophenyl)-1-propan-2-ylindol-5-yl]oxymethyl-phenoxyphosphinic acid;[2-[(E)-2-[(4S,6R)-2,2-ditert-butyl-6-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]-1,3-dioxan-4-yl]ethenyl]-3-(4-fluorophenyl)-1-propan-2-ylindol-5-yl]oxymethylphosphonic acid;(E,3R,5S)-7-[5-[di(propan-2-yloxy)phosphorylmethoxy]-3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[5-[di(propan-2-yloxy)phosphorylmethoxy]-3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]ethenyl]-4-hydroxyoxan-2-one;2-trimethylsilylethyl 2-[(4R,6S)-2,2-ditert-butyl-6-[(E)-2-[5-[di(propan-2-yloxy)phosphorylmethoxy]-3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]ethenyl]-1,3-dioxan-4-yl]acetate

C191H267F5N5O39P5Si3 — CID 157050129

IUPAC[2-[(E)-2-[(4S,6R)-2,2-ditert-butyl-6-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]-1,3-dioxan-4-yl]ethenyl]-3-(4-fluorophenyl)-1-propan-2-ylindol-5-yl]oxymethyl-phenoxyphosphinic acid;[2-[(E)-2-[(4S,6R)-2,2-ditert-butyl-6-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]-1,3-dioxan-4-yl]ethenyl]-3-(4-fluorophenyl)-1-propan-2-ylindol-5-yl]oxymethylphosphonic acid;(E,3R,5S)-7-[5-[di(propan-2-yloxy)phosphorylmethoxy]-3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[5-[di(propan-2-yloxy)phosphorylmethoxy]-3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]ethenyl]-4-hydroxyoxan-2-one;2-trimethylsilylethyl 2-[(4R,6S)-2,2-ditert-butyl-6-[(E)-2-[5-[di(propan-2-yloxy)phosphorylmethoxy]-3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]ethenyl]-1,3-dioxan-4-yl]acetate
SMILESCC(C)OP(=O)(COc1ccc2c(c1)c(-c1ccc(F)cc1)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)n2C(C)C)OC(C)C.CC(C)OP(=O)(COc1ccc2c(c1)c(-c1ccc(F)cc1)c(/C=C/[C@@H]1C[C@@H](O)CC(=O)O1)n2C(C)C)OC(C)C.CC(C)OP(=O)(COc1ccc2c(c1)c(-c1ccc(F)cc1)c(/C=C/[C@@H]1C[C@H](CC(=O)OCC[Si](C)(C)C)OC(C(C)(C)C)(C(C)(C)C)O1)n2C(C)C)OC(C)C.CC(C)n1c(/C=C/[C@@H]2C[C@H](CC(=O)OCC[Si](C)(C)C)OC(C(C)(C)C)(C(C)(C)C)O2)c(-c2ccc(F)cc2)c2cc(OCP(=O)(O)O)ccc21.CC(C)n1c(/C=C/[C@@H]2C[C@H](CC(=O)OCC[Si](C)(C)C)OC(C(C)(C)C)(C(C)(C)C)O2)c(-c2ccc(F)cc2)c2cc(OCP(=O)(O)Oc3ccccc3)ccc21
InChIInChI=1S/C45H61FNO8PSi.C45H69FNO8PSi.C39H57FNO8PSi.C31H41FNO8P.C31H39FNO7P/c1-31(2)47-39-23-21-35(52-30-56(49,50)55-34-15-13-12-14-16-34)28-38(39)42(32-17-19-33(46)20-18-32)40(47)24-22-36-27-37(29-41(48)51-25-26-57(9,10)11)54-45(53-36,43(3,4)5)44(6,7)8;1-30(2)47-39-22-20-35(51-29-56(49,54-31(3)4)55-32(5)6)27-38(39)42(33-16-18-34(46)19-17-33)40(47)23-21-36-26-37(28-41(48)50-24-25-57(13,14)15)53-45(52-36,43(7,8)9)44(10,11)12;1-26(2)41-33-18-16-29(47-25-50(43,44)45)23-32(33)36(27-12-14-28(40)15-13-27)34(41)19-17-30-22-31(24-35(42)46-20-21-51(9,10)11)49-39(48-30,37(3,4)5)38(6,7)8;1-19(2)33-28-14-12-26(39-18-42(38,40-20(3)4)41-21(5)6)17-27(28)31(22-7-9-23(32)10-8-22)29(33)13-11-24(34)15-25(35)16-30(36)37;1-19(2)33-28-13-11-25(37-18-41(36,39-20(3)4)40-21(5)6)17-27(28)31(22-7-9-23(32)10-8-22)29(33)14-12-26-15-24(34)16-30(35)38-26/h12-24,28,31,36-37H,25-27,29-30H2,1-11H3,(H,49,50);16-23,27,30-32,36-37H,24-26,28-29H2,1-15H3;12-19,23,26,30-31H,20-22,24-25H2,1-11H3,(H2,43,44,45);7-14,17,19-21,24-25,34-35H,15-16,18H2,1-6H3,(H,36,37);7-14,17,19-21,24,26,34H,15-16,18H2,1-6H3/b24-22+;23-21+;19-17+;13-11+;14-12+/t2*36-,37-;30-,31-;24-,25-;24-,26-/m11111/s1
InChIKeyAACHJHPSSXTQHG-QEHCPOTBSA-N
MW3591.35 g/mol
LogP48.82
Rot. Bonds68

About [2-[(E)-2-[(4S,6R)-2,2-ditert-butyl-6-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]-1,3-dioxan-4-yl]ethenyl]-3-(4-fluorophenyl)-1-propan-2-ylindol-5-yl]oxymethyl-phenoxyphosphinic acid;[2-[(E)-2-[(4S,6R)-2,2-ditert-butyl-6-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]-1,3-dioxan-4-yl]ethenyl]-3-(4-fluorophenyl)-1-propan-2-ylindol-5-yl]oxymethylphosphonic acid;(E,3R,5S)-7-[5-[di(propan-2-yloxy)phosphorylmethoxy]-3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[5-[di(propan-2-yloxy)phosphorylmethoxy]-3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]ethenyl]-4-hydroxyoxan-2-one;2-trimethylsilylethyl 2-[(4R,6S)-2,2-ditert-butyl-6-[(E)-2-[5-[di(propan-2-yloxy)phosphorylmethoxy]-3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]ethenyl]-1,3-dioxan-4-yl]acetate

[2-[(E)-2-[(4S,6R)-2,2-ditert-butyl-6-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]-1,3-dioxan-4-yl]ethenyl]-3-(4-fluorophenyl)-1-propan-2-ylindol-5-yl]oxymethyl-phenoxyphosphinic acid;[2-[(E)-2-[(4S,6R)-2,2-ditert-butyl-6-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]-1,3-dioxan-4-yl]ethenyl]-3-(4-fluorophenyl)-1-propan-2-ylindol-5-yl]oxymethylphosphonic acid;(E,3R,5S)-7-[5-[di(propan-2-yloxy)phosphorylmethoxy]-3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[5-[di(propan-2-yloxy)phosphorylmethoxy]-3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]ethenyl]-4-hydroxyoxan-2-one;2-trimethylsilylethyl 2-[(4R,6S)-2,2-ditert-butyl-6-[(E)-2-[5-[di(propan-2-yloxy)phosphorylmethoxy]-3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]ethenyl]-1,3-dioxan-4-yl]acetate (PubChem CID 157050129) has the molecular formula C191H267F5N5O39P5Si3 and a molecular weight of 3591.35 g/mol. Its IUPAC name is [2-[(E)-2-[(4S,6R)-2,2-ditert-butyl-6-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]-1,3-dioxan-4-yl]ethenyl]-3-(4-fluorophenyl)-1-propan-2-ylindol-5-yl]oxymethyl-phenoxyphosphinic acid;[2-[(E)-2-[(4S,6R)-2,2-ditert-butyl-6-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]-1,3-dioxan-4-yl]ethenyl]-3-(4-fluorophenyl)-1-propan-2-ylindol-5-yl]oxymethylphosphonic acid;(E,3R,5S)-7-[5-[di(propan-2-yloxy)phosphorylmethoxy]-3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[5-[di(propan-2-yloxy)phosphorylmethoxy]-3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]ethenyl]-4-hydroxyoxan-2-one;2-trimethylsilylethyl 2-[(4R,6S)-2,2-ditert-butyl-6-[(E)-2-[5-[di(propan-2-yloxy)phosphorylmethoxy]-3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]ethenyl]-1,3-dioxan-4-yl]acetate.

Molecular Properties

Compound Name[2-[(E)-2-[(4S,6R)-2,2-ditert-butyl-6-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]-1,3-dioxan-4-yl]ethenyl]-3-(4-fluorophenyl)-1-propan-2-ylindol-5-yl]oxymethyl-phenoxyphosphinic acid;[2-[(E)-2-[(4S,6R)-2,2-ditert-butyl-6-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]-1,3-dioxan-4-yl]ethenyl]-3-(4-fluorophenyl)-1-propan-2-ylindol-5-yl]oxymethylphosphonic acid;(E,3R,5S)-7-[5-[di(propan-2-yloxy)phosphorylmethoxy]-3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[5-[di(propan-2-yloxy)phosphorylmethoxy]-3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]ethenyl]-4-hydroxyoxan-2-one;2-trimethylsilylethyl 2-[(4R,6S)-2,2-ditert-butyl-6-[(E)-2-[5-[di(propan-2-yloxy)phosphorylmethoxy]-3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]ethenyl]-1,3-dioxan-4-yl]acetate
PubChem CID157050129
Molecular FormulaC191H267F5N5O39P5Si3
Molecular Weight3591.35 g/mol
Exact Mass3588.70
IUPAC Name[2-[(E)-2-[(4S,6R)-2,2-ditert-butyl-6-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]-1,3-dioxan-4-yl]ethenyl]-3-(4-fluorophenyl)-1-propan-2-ylindol-5-yl]oxymethyl-phenoxyphosphinic acid;[2-[(E)-2-[(4S,6R)-2,2-ditert-butyl-6-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]-1,3-dioxan-4-yl]ethenyl]-3-(4-fluorophenyl)-1-propan-2-ylindol-5-yl]oxymethylphosphonic acid;(E,3R,5S)-7-[5-[di(propan-2-yloxy)phosphorylmethoxy]-3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[5-[di(propan-2-yloxy)phosphorylmethoxy]-3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]ethenyl]-4-hydroxyoxan-2-one;2-trimethylsilylethyl 2-[(4R,6S)-2,2-ditert-butyl-6-[(E)-2-[5-[di(propan-2-yloxy)phosphorylmethoxy]-3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]ethenyl]-1,3-dioxan-4-yl]acetate
SMILESCC(C)OP(=O)(COc1ccc2c(c1)c(-c1ccc(F)cc1)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)n2C(C)C)OC(C)C.CC(C)OP(=O)(COc1ccc2c(c1)c(-c1ccc(F)cc1)c(/C=C/[C@@H]1C[C@@H](O)CC(=O)O1)n2C(C)C)OC(C)C.CC(C)OP(=O)(COc1ccc2c(c1)c(-c1ccc(F)cc1)c(/C=C/[C@@H]1C[C@H](CC(=O)OCC[Si](C)(C)C)OC(C(C)(C)C)(C(C)(C)C)O1)n2C(C)C)OC(C)C.CC(C)n1c(/C=C/[C@@H]2C[C@H](CC(=O)OCC[Si](C)(C)C)OC(C(C)(C)C)(C(C)(C)C)O2)c(-c2ccc(F)cc2)c2cc(OCP(=O)(O)O)ccc21.CC(C)n1c(/C=C/[C@@H]2C[C@H](CC(=O)OCC[Si](C)(C)C)OC(C(C)(C)C)(C(C)(C)C)O2)c(-c2ccc(F)cc2)c2cc(OCP(=O)(O)Oc3ccccc3)ccc21
InChIInChI=1S/C45H61FNO8PSi.C45H69FNO8PSi.C39H57FNO8PSi.C31H41FNO8P.C31H39FNO7P/c1-31(2)47-39-23-21-35(52-30-56(49,50)55-34-15-13-12-14-16-34)28-38(39)42(32-17-19-33(46)20-18-32)40(47)24-22-36-27-37(29-41(48)51-25-26-57(9,10)11)54-45(53-36,43(3,4)5)44(6,7)8;1-30(2)47-39-22-20-35(51-29-56(49,54-31(3)4)55-32(5)6)27-38(39)42(33-16-18-34(46)19-17-33)40(47)23-21-36-26-37(28-41(48)50-24-25-57(13,14)15)53-45(52-36,43(7,8)9)44(10,11)12;1-26(2)41-33-18-16-29(47-25-50(43,44)45)23-32(33)36(27-12-14-28(40)15-13-27)34(41)19-17-30-22-31(24-35(42)46-20-21-51(9,10)11)49-39(48-30,37(3,4)5)38(6,7)8;1-19(2)33-28-14-12-26(39-18-42(38,40-20(3)4)41-21(5)6)17-27(28)31(22-7-9-23(32)10-8-22)29(33)13-11-24(34)15-25(35)16-30(36)37;1-19(2)33-28-13-11-25(37-18-41(36,39-20(3)4)40-21(5)6)17-27(28)31(22-7-9-23(32)10-8-22)29(33)14-12-26-15-24(34)16-30(35)38-26/h12-24,28,31,36-37H,25-27,29-30H2,1-11H3,(H,49,50);16-23,27,30-32,36-37H,24-26,28-29H2,1-15H3;12-19,23,26,30-31H,20-22,24-25H2,1-11H3,(H2,43,44,45);7-14,17,19-21,24-25,34-35H,15-16,18H2,1-6H3,(H,36,37);7-14,17,19-21,24,26,34H,15-16,18H2,1-6H3/b24-22+;23-21+;19-17+;13-11+;14-12+/t2*36-,37-;30-,31-;24-,25-;24-,26-/m11111/s1
InChIKeyAACHJHPSSXTQHG-QEHCPOTBSA-N
XLogP48.82
TPSA540.02 Ų
H-Bond Donors7
H-Bond Acceptors40
Rotatable Bonds68
Heavy Atoms248
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003591.35
LogP ≤ 548.82
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1040

Analyze [2-[(E)-2-[(4S,6R)-2,2-ditert-butyl-6-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]-1,3-dioxan-4-yl]ethenyl]-3-(4-fluorophenyl)-1-propan-2-ylindol-5-yl]oxymethyl-phenoxyphosphinic acid;[2-[(E)-2-[(4S,6R)-2,2-ditert-butyl-6-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]-1,3-dioxan-4-yl]ethenyl]-3-(4-fluorophenyl)-1-propan-2-ylindol-5-yl]oxymethylphosphonic acid;(E,3R,5S)-7-[5-[di(propan-2-yloxy)phosphorylmethoxy]-3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[5-[di(propan-2-yloxy)phosphorylmethoxy]-3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]ethenyl]-4-hydroxyoxan-2-one;2-trimethylsilylethyl 2-[(4R,6S)-2,2-ditert-butyl-6-[(E)-2-[5-[di(propan-2-yloxy)phosphorylmethoxy]-3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]ethenyl]-1,3-dioxan-4-yl]acetate with MolForge

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Launch Full Analysis

Related Compounds

2-trimethylsilylethyl 2-[(4R,6S)-2,2-ditert-butyl-6-[(E)-2-[5-[di(propan-2-yloxy)phosphorylmethoxy]-3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]ethenyl]-1,3-dioxan-4-yl]acetate
CID 59767954
(3R,5S)-7-[2-cyclopropyl-6-[di(propan-2-yloxy)phosphorylmethoxy]-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid
CID 90862838
(E,3R,5S)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoic acid;phosphoric acid
CID 75202663
(E,3S,5R)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoic acid
CID 67279140
(E)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoic acid;zinc
CID 174650768
3-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxypropyl (E)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoate
CID 174868347
sodium;(3S,5R)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoic acid;hydride
CID 172995871
6-[(E)-2-[3-(4-fluorophenyl)-1,6-di(propan-2-yl)indol-2-yl]ethenyl]-4-hydroxyoxan-2-one
CID 58821113
(E,3R,5S)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoic acid;2,2,2-trifluoroacetic acid
CID 75202666
2-[2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl]oxyethyl (E,3R,5S)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoate
CID 142499987
(E)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoic acid;methanesulfonic acid
CID 175141944
propan-2-yl (E,3S,5R)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoate
CID 50900775

Frequently Asked Questions

What is the IUPAC name of [2-[(E)-2-[(4S,6R)-2,2-ditert-butyl-6-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]-1,3-dioxan-4-yl]ethenyl]-3-(4-fluorophenyl)-1-propan-2-ylindol-5-yl]oxymethyl-phenoxyphosphinic acid;[2-[(E)-2-[(4S,6R)-2,2-ditert-butyl-6-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]-1,3-dioxan-4-yl]ethenyl]-3-(4-fluorophenyl)-1-propan-2-ylindol-5-yl]oxymethylphosphonic acid;(E,3R,5S)-7-[5-[di(propan-2-yloxy)phosphorylmethoxy]-3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[5-[di(propan-2-yloxy)phosphorylmethoxy]-3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]ethenyl]-4-hydroxyoxan-2-one;2-trimethylsilylethyl 2-[(4R,6S)-2,2-ditert-butyl-6-[(E)-2-[5-[di(propan-2-yloxy)phosphorylmethoxy]-3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]ethenyl]-1,3-dioxan-4-yl]acetate?
The IUPAC name of [2-[(E)-2-[(4S,6R)-2,2-ditert-butyl-6-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]-1,3-dioxan-4-yl]ethenyl]-3-(4-fluorophenyl)-1-propan-2-ylindol-5-yl]oxymethyl-phenoxyphosphinic acid;[2-[(E)-2-[(4S,6R)-2,2-ditert-butyl-6-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]-1,3-dioxan-4-yl]ethenyl]-3-(4-fluorophenyl)-1-propan-2-ylindol-5-yl]oxymethylphosphonic acid;(E,3R,5S)-7-[5-[di(propan-2-yloxy)phosphorylmethoxy]-3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[5-[di(propan-2-yloxy)phosphorylmethoxy]-3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]ethenyl]-4-hydroxyoxan-2-one;2-trimethylsilylethyl 2-[(4R,6S)-2,2-ditert-butyl-6-[(E)-2-[5-[di(propan-2-yloxy)phosphorylmethoxy]-3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]ethenyl]-1,3-dioxan-4-yl]acetate (CID 157050129) is [2-[(E)-2-[(4S,6R)-2,2-ditert-butyl-6-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]-1,3-dioxan-4-yl]ethenyl]-3-(4-fluorophenyl)-1-propan-2-ylindol-5-yl]oxymethyl-phenoxyphosphinic acid;[2-[(E)-2-[(4S,6R)-2,2-ditert-butyl-6-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]-1,3-dioxan-4-yl]ethenyl]-3-(4-fluorophenyl)-1-propan-2-ylindol-5-yl]oxymethylphosphonic acid;(E,3R,5S)-7-[5-[di(propan-2-yloxy)phosphorylmethoxy]-3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[5-[di(propan-2-yloxy)phosphorylmethoxy]-3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]ethenyl]-4-hydroxyoxan-2-one;2-trimethylsilylethyl 2-[(4R,6S)-2,2-ditert-butyl-6-[(E)-2-[5-[di(propan-2-yloxy)phosphorylmethoxy]-3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]ethenyl]-1,3-dioxan-4-yl]acetate.
What is the SMILES notation for [2-[(E)-2-[(4S,6R)-2,2-ditert-butyl-6-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]-1,3-dioxan-4-yl]ethenyl]-3-(4-fluorophenyl)-1-propan-2-ylindol-5-yl]oxymethyl-phenoxyphosphinic acid;[2-[(E)-2-[(4S,6R)-2,2-ditert-butyl-6-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]-1,3-dioxan-4-yl]ethenyl]-3-(4-fluorophenyl)-1-propan-2-ylindol-5-yl]oxymethylphosphonic acid;(E,3R,5S)-7-[5-[di(propan-2-yloxy)phosphorylmethoxy]-3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[5-[di(propan-2-yloxy)phosphorylmethoxy]-3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]ethenyl]-4-hydroxyoxan-2-one;2-trimethylsilylethyl 2-[(4R,6S)-2,2-ditert-butyl-6-[(E)-2-[5-[di(propan-2-yloxy)phosphorylmethoxy]-3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]ethenyl]-1,3-dioxan-4-yl]acetate?
The canonical SMILES for [2-[(E)-2-[(4S,6R)-2,2-ditert-butyl-6-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]-1,3-dioxan-4-yl]ethenyl]-3-(4-fluorophenyl)-1-propan-2-ylindol-5-yl]oxymethyl-phenoxyphosphinic acid;[2-[(E)-2-[(4S,6R)-2,2-ditert-butyl-6-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]-1,3-dioxan-4-yl]ethenyl]-3-(4-fluorophenyl)-1-propan-2-ylindol-5-yl]oxymethylphosphonic acid;(E,3R,5S)-7-[5-[di(propan-2-yloxy)phosphorylmethoxy]-3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[5-[di(propan-2-yloxy)phosphorylmethoxy]-3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]ethenyl]-4-hydroxyoxan-2-one;2-trimethylsilylethyl 2-[(4R,6S)-2,2-ditert-butyl-6-[(E)-2-[5-[di(propan-2-yloxy)phosphorylmethoxy]-3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]ethenyl]-1,3-dioxan-4-yl]acetate is CC(C)OP(=O)(COc1ccc2c(c1)c(-c1ccc(F)cc1)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)n2C(C)C)OC(C)C.CC(C)OP(=O)(COc1ccc2c(c1)c(-c1ccc(F)cc1)c(/C=C/[C@@H]1C[C@@H](O)CC(=O)O1)n2C(C)C)OC(C)C.CC(C)OP(=O)(COc1ccc2c(c1)c(-c1ccc(F)cc1)c(/C=C/[C@@H]1C[C@H](CC(=O)OCC[Si](C)(C)C)OC(C(C)(C)C)(C(C)(C)C)O1)n2C(C)C)OC(C)C.CC(C)n1c(/C=C/[C@@H]2C[C@H](CC(=O)OCC[Si](C)(C)C)OC(C(C)(C)C)(C(C)(C)C)O2)c(-c2ccc(F)cc2)c2cc(OCP(=O)(O)O)ccc21.CC(C)n1c(/C=C/[C@@H]2C[C@H](CC(=O)OCC[Si](C)(C)C)OC(C(C)(C)C)(C(C)(C)C)O2)c(-c2ccc(F)cc2)c2cc(OCP(=O)(O)Oc3ccccc3)ccc21.
What is the InChIKey of [2-[(E)-2-[(4S,6R)-2,2-ditert-butyl-6-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]-1,3-dioxan-4-yl]ethenyl]-3-(4-fluorophenyl)-1-propan-2-ylindol-5-yl]oxymethyl-phenoxyphosphinic acid;[2-[(E)-2-[(4S,6R)-2,2-ditert-butyl-6-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]-1,3-dioxan-4-yl]ethenyl]-3-(4-fluorophenyl)-1-propan-2-ylindol-5-yl]oxymethylphosphonic acid;(E,3R,5S)-7-[5-[di(propan-2-yloxy)phosphorylmethoxy]-3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[5-[di(propan-2-yloxy)phosphorylmethoxy]-3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]ethenyl]-4-hydroxyoxan-2-one;2-trimethylsilylethyl 2-[(4R,6S)-2,2-ditert-butyl-6-[(E)-2-[5-[di(propan-2-yloxy)phosphorylmethoxy]-3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]ethenyl]-1,3-dioxan-4-yl]acetate?
The InChIKey is AACHJHPSSXTQHG-QEHCPOTBSA-N. The full InChI is InChI=1S/C45H61FNO8PSi.C45H69FNO8PSi.C39H57FNO8PSi.C31H41FNO8P.C31H39FNO7P/c1-31(2)47-39-23-21-35(52-30-56(49,50)55-34-15-13-12-14-16-34)28-38(39)42(32-17-19-33(46)20-18-32)40(47)24-22-36-27-37(29-41(48)51-25-26-57(9,10)11)54-45(53-36,43(3,4)5)44(6,7)8;1-30(2)47-39-22-20-35(51-29-56(49,54-31(3)4)55-32(5)6)27-38(39)42(33-16-18-34(46)19-17-33)40(47)23-21-36-26-37(28-41(48)50-24-25-57(13,14)15)53-45(52-36,43(7,8)9)44(10,11)12;1-26(2)41-33-18-16-29(47-25-50(43,44)45)23-32(33)36(27-12-14-28(40)15-13-27)34(41)19-17-30-22-31(24-35(42)46-20-21-51(9,10)11)49-39(48-30,37(3,4)5)38(6,7)8;1-19(2)33-28-14-12-26(39-18-42(38,40-20(3)4)41-21(5)6)17-27(28)31(22-7-9-23(32)10-8-22)29(33)13-11-24(34)15-25(35)16-30(36)37;1-19(2)33-28-13-11-25(37-18-41(36,39-20(3)4)40-21(5)6)17-27(28)31(22-7-9-23(32)10-8-22)29(33)14-12-26-15-24(34)16-30(35)38-26/h12-24,28,31,36-37H,25-27,29-30H2,1-11H3,(H,49,50);16-23,27,30-32,36-37H,24-26,28-29H2,1-15H3;12-19,23,26,30-31H,20-22,24-25H2,1-11H3,(H2,43,44,45);7-14,17,19-21,24-25,34-35H,15-16,18H2,1-6H3,(H,36,37);7-14,17,19-21,24,26,34H,15-16,18H2,1-6H3/b24-22+;23-21+;19-17+;13-11+;14-12+/t2*36-,37-;30-,31-;24-,25-;24-,26-/m11111/s1.
What are the key properties of [2-[(E)-2-[(4S,6R)-2,2-ditert-butyl-6-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]-1,3-dioxan-4-yl]ethenyl]-3-(4-fluorophenyl)-1-propan-2-ylindol-5-yl]oxymethyl-phenoxyphosphinic acid;[2-[(E)-2-[(4S,6R)-2,2-ditert-butyl-6-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]-1,3-dioxan-4-yl]ethenyl]-3-(4-fluorophenyl)-1-propan-2-ylindol-5-yl]oxymethylphosphonic acid;(E,3R,5S)-7-[5-[di(propan-2-yloxy)phosphorylmethoxy]-3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[5-[di(propan-2-yloxy)phosphorylmethoxy]-3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]ethenyl]-4-hydroxyoxan-2-one;2-trimethylsilylethyl 2-[(4R,6S)-2,2-ditert-butyl-6-[(E)-2-[5-[di(propan-2-yloxy)phosphorylmethoxy]-3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]ethenyl]-1,3-dioxan-4-yl]acetate?
[2-[(E)-2-[(4S,6R)-2,2-ditert-butyl-6-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]-1,3-dioxan-4-yl]ethenyl]-3-(4-fluorophenyl)-1-propan-2-ylindol-5-yl]oxymethyl-phenoxyphosphinic acid;[2-[(E)-2-[(4S,6R)-2,2-ditert-butyl-6-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]-1,3-dioxan-4-yl]ethenyl]-3-(4-fluorophenyl)-1-propan-2-ylindol-5-yl]oxymethylphosphonic acid;(E,3R,5S)-7-[5-[di(propan-2-yloxy)phosphorylmethoxy]-3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[5-[di(propan-2-yloxy)phosphorylmethoxy]-3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]ethenyl]-4-hydroxyoxan-2-one;2-trimethylsilylethyl 2-[(4R,6S)-2,2-ditert-butyl-6-[(E)-2-[5-[di(propan-2-yloxy)phosphorylmethoxy]-3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]ethenyl]-1,3-dioxan-4-yl]acetate has a molecular weight of 3591.35 g/mol, XLogP of 48.82, 68 rotatable bonds, 7 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(E)-2-[(4S,6R)-2,2-ditert-butyl-6-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]-1,3-dioxan-4-yl]ethenyl]-3-(4-fluorophenyl)-1-propan-2-ylindol-5-yl]oxymethyl-phenoxyphosphinic acid;[2-[(E)-2-[(4S,6R)-2,2-ditert-butyl-6-[2-oxo-2-(2-trimethylsilylethoxy)ethyl]-1,3-dioxan-4-yl]ethenyl]-3-(4-fluorophenyl)-1-propan-2-ylindol-5-yl]oxymethylphosphonic acid;(E,3R,5S)-7-[5-[di(propan-2-yloxy)phosphorylmethoxy]-3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoic acid;(4R,6S)-6-[(E)-2-[5-[di(propan-2-yloxy)phosphorylmethoxy]-3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]ethenyl]-4-hydroxyoxan-2-one;2-trimethylsilylethyl 2-[(4R,6S)-2,2-ditert-butyl-6-[(E)-2-[5-[di(propan-2-yloxy)phosphorylmethoxy]-3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]ethenyl]-1,3-dioxan-4-yl]acetate is sourced from PubChem (CID 157050129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).