acetonitrile;(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphorylbutanoic acid;(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-1-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]hex-1-en-3-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-diethoxyphosphoryl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one;(E,2R,4S)-1-diethoxyphosphoryl-6-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]hex-5-ene-2,4-diol;4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)pyridine-3-carbaldehyde;methane;[(1Z)-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;methyl 4-bromo-3-oxobutanoate;methyl (3R)-4-diethoxyphosphoryl-3-hydroxybutanoate;methyl 4-diethoxyphosphoryl-3-oxobutanoate;methylidene(triphenyl)-λ5-phosphane;molecular bromine;triethyl phosphite

C195H313Br3F3N4O46P9Si5 — CID 162259766

IUPACacetonitrile;(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphorylbutanoic acid;(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-1-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]hex-1-en-3-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-diethoxyphosphoryl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one;(E,2R,4S)-1-diethoxyphosphoryl-6-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]hex-5-ene-2,4-diol;4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)pyridine-3-carbaldehyde;methane;[(1Z)-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;methyl 4-bromo-3-oxobutanoate;methyl (3R)-4-diethoxyphosphoryl-3-hydroxybutanoate;methyl 4-diethoxyphosphoryl-3-oxobutanoate;methylidene(triphenyl)-λ5-phosphane;molecular bromine;triethyl phosphite
SMILESBrBr.C.C.C.C=C(/C=C(/OC)O[Si](C)(C)C)O[Si](C)(C)C.C=P(c1ccccc1)(c1ccccc1)c1ccccc1.CC#N.CCOP(=O)(CC(=O)CC(=O)OC)OCC.CCOP(=O)(C[C@@H](CC(=O)/C=C/c1c(C(C)C)nc(C(C)C)c(COC)c1-c1ccc(F)cc1)O[Si](C)(C)C(C)(C)C)OCC.CCOP(=O)(C[C@@H](CC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1)O[Si](C)(C)C(C)(C)C)OCC.CCOP(=O)(C[C@H](CC(=O)O)O[Si](C)(C)C(C)(C)C)OCC.CCOP(=O)(C[C@H](O)CC(=O)OC)OCC.CCOP(=O)(C[C@H](O)C[C@H](O)/C=C/c1c(C(C)C)nc(C(C)C)c(COC)c1-c1ccc(F)cc1)OCC.CCOP(OCC)OCC.COC(=O)CC(=O)CBr.COCc1c(C(C)C)nc(C(C)C)c(C=O)c1-c1ccc(F)cc1
InChIInChI=1S/C35H55FNO6PSi.C33H46O5P2Si.C29H43FNO6P.C20H24FNO2.C19H17P.C14H31O6PSi.C11H24O3Si2.C9H19O6P.C9H17O6P.C6H15O3P.C5H7BrO3.C2H3N.3CH4.Br2/c1-13-41-44(39,42-14-2)23-29(43-45(11,12)35(7,8)9)21-28(38)19-20-30-32(26-15-17-27(36)18-16-26)31(22-40-10)34(25(5)6)37-33(30)24(3)4;1-8-36-40(35,37-9-2)27-29(38-41(6,7)33(3,4)5)25-28(34)26-39(30-19-13-10-14-20-30,31-21-15-11-16-22-31)32-23-17-12-18-24-32;1-8-36-38(34,37-9-2)18-24(33)16-23(32)14-15-25-27(21-10-12-22(30)13-11-21)26(17-35-7)29(20(5)6)31-28(25)19(3)4;1-12(2)19-16(10-23)18(14-6-8-15(21)9-7-14)17(11-24-5)20(22-19)13(3)4;1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-8-18-21(17,19-9-2)11-12(10-13(15)16)20-22(6,7)14(3,4)5;1-10(13-15(3,4)5)9-11(12-2)14-16(6,7)8;2*1-4-14-16(12,15-5-2)7-8(10)6-9(11)13-3;1-4-7-10(8-5-2)9-6-3;1-9-5(8)2-4(7)3-6;1-2-3;;;;1-2/h15-20,24-25,29H,13-14,21-23H2,1-12H3;10-24,26,29H,8-9,25,27H2,1-7H3;10-15,19-20,23-24,32-33H,8-9,16-18H2,1-7H3;6-10,12-13H,11H2,1-5H3;2-16H,1H2;12H,8-11H2,1-7H3,(H,15,16);9H,1H2,2-8H3;8,10H,4-7H2,1-3H3;4-7H2,1-3H3;4-6H2,1-3H3;2-3H2,1H3;1H3;3*1H4;/b20-19+;;15-14+;;;;11-9-;;;;;;;;;/t2*29-;23-,24-;;;12-;;8-;;;;;;;;/m111..0.1......../s1
InChIKeyZZBRTUYJNSHVNK-SLJGPJLQSA-N
MW4165.53 g/mol
LogP49.82
Rot. Bonds96

About acetonitrile;(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphorylbutanoic acid;(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-1-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]hex-1-en-3-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-diethoxyphosphoryl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one;(E,2R,4S)-1-diethoxyphosphoryl-6-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]hex-5-ene-2,4-diol;4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)pyridine-3-carbaldehyde;methane;[(1Z)-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;methyl 4-bromo-3-oxobutanoate;methyl (3R)-4-diethoxyphosphoryl-3-hydroxybutanoate;methyl 4-diethoxyphosphoryl-3-oxobutanoate;methylidene(triphenyl)-λ5-phosphane;molecular bromine;triethyl phosphite

acetonitrile;(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphorylbutanoic acid;(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-1-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]hex-1-en-3-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-diethoxyphosphoryl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one;(E,2R,4S)-1-diethoxyphosphoryl-6-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]hex-5-ene-2,4-diol;4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)pyridine-3-carbaldehyde;methane;[(1Z)-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;methyl 4-bromo-3-oxobutanoate;methyl (3R)-4-diethoxyphosphoryl-3-hydroxybutanoate;methyl 4-diethoxyphosphoryl-3-oxobutanoate;methylidene(triphenyl)-λ5-phosphane;molecular bromine;triethyl phosphite (PubChem CID 162259766) has the molecular formula C195H313Br3F3N4O46P9Si5 and a molecular weight of 4165.53 g/mol. Its IUPAC name is acetonitrile;(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphorylbutanoic acid;(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-1-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]hex-1-en-3-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-diethoxyphosphoryl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one;(E,2R,4S)-1-diethoxyphosphoryl-6-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]hex-5-ene-2,4-diol;4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)pyridine-3-carbaldehyde;methane;[(1Z)-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;methyl 4-bromo-3-oxobutanoate;methyl (3R)-4-diethoxyphosphoryl-3-hydroxybutanoate;methyl 4-diethoxyphosphoryl-3-oxobutanoate;methylidene(triphenyl)-λ5-phosphane;molecular bromine;triethyl phosphite.

Molecular Properties

Compound Nameacetonitrile;(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphorylbutanoic acid;(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-1-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]hex-1-en-3-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-diethoxyphosphoryl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one;(E,2R,4S)-1-diethoxyphosphoryl-6-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]hex-5-ene-2,4-diol;4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)pyridine-3-carbaldehyde;methane;[(1Z)-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;methyl 4-bromo-3-oxobutanoate;methyl (3R)-4-diethoxyphosphoryl-3-hydroxybutanoate;methyl 4-diethoxyphosphoryl-3-oxobutanoate;methylidene(triphenyl)-λ5-phosphane;molecular bromine;triethyl phosphite
PubChem CID162259766
Molecular FormulaC195H313Br3F3N4O46P9Si5
Molecular Weight4165.53 g/mol
Exact Mass4159.63
IUPAC Nameacetonitrile;(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphorylbutanoic acid;(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-1-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]hex-1-en-3-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-diethoxyphosphoryl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one;(E,2R,4S)-1-diethoxyphosphoryl-6-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]hex-5-ene-2,4-diol;4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)pyridine-3-carbaldehyde;methane;[(1Z)-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;methyl 4-bromo-3-oxobutanoate;methyl (3R)-4-diethoxyphosphoryl-3-hydroxybutanoate;methyl 4-diethoxyphosphoryl-3-oxobutanoate;methylidene(triphenyl)-λ5-phosphane;molecular bromine;triethyl phosphite
SMILESBrBr.C.C.C.C=C(/C=C(/OC)O[Si](C)(C)C)O[Si](C)(C)C.C=P(c1ccccc1)(c1ccccc1)c1ccccc1.CC#N.CCOP(=O)(CC(=O)CC(=O)OC)OCC.CCOP(=O)(C[C@@H](CC(=O)/C=C/c1c(C(C)C)nc(C(C)C)c(COC)c1-c1ccc(F)cc1)O[Si](C)(C)C(C)(C)C)OCC.CCOP(=O)(C[C@@H](CC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1)O[Si](C)(C)C(C)(C)C)OCC.CCOP(=O)(C[C@H](CC(=O)O)O[Si](C)(C)C(C)(C)C)OCC.CCOP(=O)(C[C@H](O)CC(=O)OC)OCC.CCOP(=O)(C[C@H](O)C[C@H](O)/C=C/c1c(C(C)C)nc(C(C)C)c(COC)c1-c1ccc(F)cc1)OCC.CCOP(OCC)OCC.COC(=O)CC(=O)CBr.COCc1c(C(C)C)nc(C(C)C)c(C=O)c1-c1ccc(F)cc1
InChIInChI=1S/C35H55FNO6PSi.C33H46O5P2Si.C29H43FNO6P.C20H24FNO2.C19H17P.C14H31O6PSi.C11H24O3Si2.C9H19O6P.C9H17O6P.C6H15O3P.C5H7BrO3.C2H3N.3CH4.Br2/c1-13-41-44(39,42-14-2)23-29(43-45(11,12)35(7,8)9)21-28(38)19-20-30-32(26-15-17-27(36)18-16-26)31(22-40-10)34(25(5)6)37-33(30)24(3)4;1-8-36-40(35,37-9-2)27-29(38-41(6,7)33(3,4)5)25-28(34)26-39(30-19-13-10-14-20-30,31-21-15-11-16-22-31)32-23-17-12-18-24-32;1-8-36-38(34,37-9-2)18-24(33)16-23(32)14-15-25-27(21-10-12-22(30)13-11-21)26(17-35-7)29(20(5)6)31-28(25)19(3)4;1-12(2)19-16(10-23)18(14-6-8-15(21)9-7-14)17(11-24-5)20(22-19)13(3)4;1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-8-18-21(17,19-9-2)11-12(10-13(15)16)20-22(6,7)14(3,4)5;1-10(13-15(3,4)5)9-11(12-2)14-16(6,7)8;2*1-4-14-16(12,15-5-2)7-8(10)6-9(11)13-3;1-4-7-10(8-5-2)9-6-3;1-9-5(8)2-4(7)3-6;1-2-3;;;;1-2/h15-20,24-25,29H,13-14,21-23H2,1-12H3;10-24,26,29H,8-9,25,27H2,1-7H3;10-15,19-20,23-24,32-33H,8-9,16-18H2,1-7H3;6-10,12-13H,11H2,1-5H3;2-16H,1H2;12H,8-11H2,1-7H3,(H,15,16);9H,1H2,2-8H3;8,10H,4-7H2,1-3H3;4-7H2,1-3H3;4-6H2,1-3H3;2-3H2,1H3;1H3;3*1H4;/b20-19+;;15-14+;;;;11-9-;;;;;;;;;/t2*29-;23-,24-;;;12-;;8-;;;;;;;;/m111..0.1......../s1
InChIKeyZZBRTUYJNSHVNK-SLJGPJLQSA-N
XLogP49.82
TPSA648.64 Ų
H-Bond Donors4
H-Bond Acceptors49
Rotatable Bonds96
Heavy Atoms265
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004165.53
LogP ≤ 549.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1049

Analyze acetonitrile;(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphorylbutanoic acid;(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-1-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]hex-1-en-3-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-diethoxyphosphoryl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one;(E,2R,4S)-1-diethoxyphosphoryl-6-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]hex-5-ene-2,4-diol;4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)pyridine-3-carbaldehyde;methane;[(1Z)-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;methyl 4-bromo-3-oxobutanoate;methyl (3R)-4-diethoxyphosphoryl-3-hydroxybutanoate;methyl 4-diethoxyphosphoryl-3-oxobutanoate;methylidene(triphenyl)-λ5-phosphane;molecular bromine;triethyl phosphite with MolForge

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Frequently Asked Questions

What is the IUPAC name of acetonitrile;(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphorylbutanoic acid;(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-1-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]hex-1-en-3-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-diethoxyphosphoryl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one;(E,2R,4S)-1-diethoxyphosphoryl-6-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]hex-5-ene-2,4-diol;4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)pyridine-3-carbaldehyde;methane;[(1Z)-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;methyl 4-bromo-3-oxobutanoate;methyl (3R)-4-diethoxyphosphoryl-3-hydroxybutanoate;methyl 4-diethoxyphosphoryl-3-oxobutanoate;methylidene(triphenyl)-λ5-phosphane;molecular bromine;triethyl phosphite?
The IUPAC name of acetonitrile;(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphorylbutanoic acid;(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-1-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]hex-1-en-3-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-diethoxyphosphoryl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one;(E,2R,4S)-1-diethoxyphosphoryl-6-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]hex-5-ene-2,4-diol;4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)pyridine-3-carbaldehyde;methane;[(1Z)-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;methyl 4-bromo-3-oxobutanoate;methyl (3R)-4-diethoxyphosphoryl-3-hydroxybutanoate;methyl 4-diethoxyphosphoryl-3-oxobutanoate;methylidene(triphenyl)-λ5-phosphane;molecular bromine;triethyl phosphite (CID 162259766) is acetonitrile;(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphorylbutanoic acid;(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-1-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]hex-1-en-3-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-diethoxyphosphoryl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one;(E,2R,4S)-1-diethoxyphosphoryl-6-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]hex-5-ene-2,4-diol;4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)pyridine-3-carbaldehyde;methane;[(1Z)-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;methyl 4-bromo-3-oxobutanoate;methyl (3R)-4-diethoxyphosphoryl-3-hydroxybutanoate;methyl 4-diethoxyphosphoryl-3-oxobutanoate;methylidene(triphenyl)-λ5-phosphane;molecular bromine;triethyl phosphite.
What is the SMILES notation for acetonitrile;(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphorylbutanoic acid;(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-1-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]hex-1-en-3-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-diethoxyphosphoryl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one;(E,2R,4S)-1-diethoxyphosphoryl-6-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]hex-5-ene-2,4-diol;4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)pyridine-3-carbaldehyde;methane;[(1Z)-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;methyl 4-bromo-3-oxobutanoate;methyl (3R)-4-diethoxyphosphoryl-3-hydroxybutanoate;methyl 4-diethoxyphosphoryl-3-oxobutanoate;methylidene(triphenyl)-λ5-phosphane;molecular bromine;triethyl phosphite?
The canonical SMILES for acetonitrile;(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphorylbutanoic acid;(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-1-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]hex-1-en-3-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-diethoxyphosphoryl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one;(E,2R,4S)-1-diethoxyphosphoryl-6-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]hex-5-ene-2,4-diol;4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)pyridine-3-carbaldehyde;methane;[(1Z)-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;methyl 4-bromo-3-oxobutanoate;methyl (3R)-4-diethoxyphosphoryl-3-hydroxybutanoate;methyl 4-diethoxyphosphoryl-3-oxobutanoate;methylidene(triphenyl)-λ5-phosphane;molecular bromine;triethyl phosphite is BrBr.C.C.C.C=C(/C=C(/OC)O[Si](C)(C)C)O[Si](C)(C)C.C=P(c1ccccc1)(c1ccccc1)c1ccccc1.CC#N.CCOP(=O)(CC(=O)CC(=O)OC)OCC.CCOP(=O)(C[C@@H](CC(=O)/C=C/c1c(C(C)C)nc(C(C)C)c(COC)c1-c1ccc(F)cc1)O[Si](C)(C)C(C)(C)C)OCC.CCOP(=O)(C[C@@H](CC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1)O[Si](C)(C)C(C)(C)C)OCC.CCOP(=O)(C[C@H](CC(=O)O)O[Si](C)(C)C(C)(C)C)OCC.CCOP(=O)(C[C@H](O)CC(=O)OC)OCC.CCOP(=O)(C[C@H](O)C[C@H](O)/C=C/c1c(C(C)C)nc(C(C)C)c(COC)c1-c1ccc(F)cc1)OCC.CCOP(OCC)OCC.COC(=O)CC(=O)CBr.COCc1c(C(C)C)nc(C(C)C)c(C=O)c1-c1ccc(F)cc1.
What is the InChIKey of acetonitrile;(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphorylbutanoic acid;(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-1-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]hex-1-en-3-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-diethoxyphosphoryl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one;(E,2R,4S)-1-diethoxyphosphoryl-6-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]hex-5-ene-2,4-diol;4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)pyridine-3-carbaldehyde;methane;[(1Z)-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;methyl 4-bromo-3-oxobutanoate;methyl (3R)-4-diethoxyphosphoryl-3-hydroxybutanoate;methyl 4-diethoxyphosphoryl-3-oxobutanoate;methylidene(triphenyl)-λ5-phosphane;molecular bromine;triethyl phosphite?
The InChIKey is ZZBRTUYJNSHVNK-SLJGPJLQSA-N. The full InChI is InChI=1S/C35H55FNO6PSi.C33H46O5P2Si.C29H43FNO6P.C20H24FNO2.C19H17P.C14H31O6PSi.C11H24O3Si2.C9H19O6P.C9H17O6P.C6H15O3P.C5H7BrO3.C2H3N.3CH4.Br2/c1-13-41-44(39,42-14-2)23-29(43-45(11,12)35(7,8)9)21-28(38)19-20-30-32(26-15-17-27(36)18-16-26)31(22-40-10)34(25(5)6)37-33(30)24(3)4;1-8-36-40(35,37-9-2)27-29(38-41(6,7)33(3,4)5)25-28(34)26-39(30-19-13-10-14-20-30,31-21-15-11-16-22-31)32-23-17-12-18-24-32;1-8-36-38(34,37-9-2)18-24(33)16-23(32)14-15-25-27(21-10-12-22(30)13-11-21)26(17-35-7)29(20(5)6)31-28(25)19(3)4;1-12(2)19-16(10-23)18(14-6-8-15(21)9-7-14)17(11-24-5)20(22-19)13(3)4;1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-8-18-21(17,19-9-2)11-12(10-13(15)16)20-22(6,7)14(3,4)5;1-10(13-15(3,4)5)9-11(12-2)14-16(6,7)8;2*1-4-14-16(12,15-5-2)7-8(10)6-9(11)13-3;1-4-7-10(8-5-2)9-6-3;1-9-5(8)2-4(7)3-6;1-2-3;;;;1-2/h15-20,24-25,29H,13-14,21-23H2,1-12H3;10-24,26,29H,8-9,25,27H2,1-7H3;10-15,19-20,23-24,32-33H,8-9,16-18H2,1-7H3;6-10,12-13H,11H2,1-5H3;2-16H,1H2;12H,8-11H2,1-7H3,(H,15,16);9H,1H2,2-8H3;8,10H,4-7H2,1-3H3;4-7H2,1-3H3;4-6H2,1-3H3;2-3H2,1H3;1H3;3*1H4;/b20-19+;;15-14+;;;;11-9-;;;;;;;;;/t2*29-;23-,24-;;;12-;;8-;;;;;;;;/m111..0.1......../s1.
What are the key properties of acetonitrile;(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphorylbutanoic acid;(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-1-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]hex-1-en-3-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-diethoxyphosphoryl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one;(E,2R,4S)-1-diethoxyphosphoryl-6-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]hex-5-ene-2,4-diol;4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)pyridine-3-carbaldehyde;methane;[(1Z)-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;methyl 4-bromo-3-oxobutanoate;methyl (3R)-4-diethoxyphosphoryl-3-hydroxybutanoate;methyl 4-diethoxyphosphoryl-3-oxobutanoate;methylidene(triphenyl)-λ5-phosphane;molecular bromine;triethyl phosphite?
acetonitrile;(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphorylbutanoic acid;(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-1-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]hex-1-en-3-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-diethoxyphosphoryl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one;(E,2R,4S)-1-diethoxyphosphoryl-6-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]hex-5-ene-2,4-diol;4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)pyridine-3-carbaldehyde;methane;[(1Z)-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;methyl 4-bromo-3-oxobutanoate;methyl (3R)-4-diethoxyphosphoryl-3-hydroxybutanoate;methyl 4-diethoxyphosphoryl-3-oxobutanoate;methylidene(triphenyl)-λ5-phosphane;molecular bromine;triethyl phosphite has a molecular weight of 4165.53 g/mol, XLogP of 49.82, 96 rotatable bonds, 4 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-diethoxyphosphorylbutanoic acid;(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-1-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]hex-1-en-3-one;(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-diethoxyphosphoryl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one;(E,2R,4S)-1-diethoxyphosphoryl-6-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]hex-5-ene-2,4-diol;4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)pyridine-3-carbaldehyde;methane;[(1Z)-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;methyl 4-bromo-3-oxobutanoate;methyl (3R)-4-diethoxyphosphoryl-3-hydroxybutanoate;methyl 4-diethoxyphosphoryl-3-oxobutanoate;methylidene(triphenyl)-λ5-phosphane;molecular bromine;triethyl phosphite is sourced from PubChem (CID 162259766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).