About acetonitrile;(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-dimethylphosphorylbutanoic acid;(E)-5-[tert-butyl(dimethyl)silyl]oxy-6-dimethylphosphoryl-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-dimethylphosphoryl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one;(E,2R,4S)-1-dimethylphosphoryl-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;[(1Z)-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;methyl 4-bromo-3-oxobutanoate;methyl (3R)-4-dimethylphosphoryl-3-hydroxybutanoate;methyl 4-dimethylphosphoryl-3-oxobutanoate;methylidene(triphenyl)-λ5-phosphane;molecular bromine
acetonitrile;(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-dimethylphosphorylbutanoic acid;(E)-5-[tert-butyl(dimethyl)silyl]oxy-6-dimethylphosphoryl-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-dimethylphosphoryl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one;(E,2R,4S)-1-dimethylphosphoryl-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;[(1Z)-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;methyl 4-bromo-3-oxobutanoate;methyl (3R)-4-dimethylphosphoryl-3-hydroxybutanoate;methyl 4-dimethylphosphoryl-3-oxobutanoate;methylidene(triphenyl)-λ5-phosphane;molecular bromine (PubChem CID 161370533) has the molecular formula C174H262Br3F3N4O31P8Si5
and a molecular weight of 3590.93 g/mol. Its IUPAC name is acetonitrile;(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-dimethylphosphorylbutanoic acid;(E)-5-[tert-butyl(dimethyl)silyl]oxy-6-dimethylphosphoryl-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-dimethylphosphoryl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one;(E,2R,4S)-1-dimethylphosphoryl-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;[(1Z)-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;methyl 4-bromo-3-oxobutanoate;methyl (3R)-4-dimethylphosphoryl-3-hydroxybutanoate;methyl 4-dimethylphosphoryl-3-oxobutanoate;methylidene(triphenyl)-λ5-phosphane;molecular bromine.
Frequently Asked Questions
What is the IUPAC name of acetonitrile;(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-dimethylphosphorylbutanoic acid;(E)-5-[tert-butyl(dimethyl)silyl]oxy-6-dimethylphosphoryl-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-dimethylphosphoryl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one;(E,2R,4S)-1-dimethylphosphoryl-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;[(1Z)-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;methyl 4-bromo-3-oxobutanoate;methyl (3R)-4-dimethylphosphoryl-3-hydroxybutanoate;methyl 4-dimethylphosphoryl-3-oxobutanoate;methylidene(triphenyl)-λ5-phosphane;molecular bromine?
The IUPAC name of acetonitrile;(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-dimethylphosphorylbutanoic acid;(E)-5-[tert-butyl(dimethyl)silyl]oxy-6-dimethylphosphoryl-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-dimethylphosphoryl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one;(E,2R,4S)-1-dimethylphosphoryl-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;[(1Z)-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;methyl 4-bromo-3-oxobutanoate;methyl (3R)-4-dimethylphosphoryl-3-hydroxybutanoate;methyl 4-dimethylphosphoryl-3-oxobutanoate;methylidene(triphenyl)-λ5-phosphane;molecular bromine (CID 161370533) is acetonitrile;(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-dimethylphosphorylbutanoic acid;(E)-5-[tert-butyl(dimethyl)silyl]oxy-6-dimethylphosphoryl-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-dimethylphosphoryl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one;(E,2R,4S)-1-dimethylphosphoryl-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;[(1Z)-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;methyl 4-bromo-3-oxobutanoate;methyl (3R)-4-dimethylphosphoryl-3-hydroxybutanoate;methyl 4-dimethylphosphoryl-3-oxobutanoate;methylidene(triphenyl)-λ5-phosphane;molecular bromine.
What is the SMILES notation for acetonitrile;(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-dimethylphosphorylbutanoic acid;(E)-5-[tert-butyl(dimethyl)silyl]oxy-6-dimethylphosphoryl-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-dimethylphosphoryl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one;(E,2R,4S)-1-dimethylphosphoryl-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;[(1Z)-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;methyl 4-bromo-3-oxobutanoate;methyl (3R)-4-dimethylphosphoryl-3-hydroxybutanoate;methyl 4-dimethylphosphoryl-3-oxobutanoate;methylidene(triphenyl)-λ5-phosphane;molecular bromine?
The canonical SMILES for acetonitrile;(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-dimethylphosphorylbutanoic acid;(E)-5-[tert-butyl(dimethyl)silyl]oxy-6-dimethylphosphoryl-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-dimethylphosphoryl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one;(E,2R,4S)-1-dimethylphosphoryl-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;[(1Z)-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;methyl 4-bromo-3-oxobutanoate;methyl (3R)-4-dimethylphosphoryl-3-hydroxybutanoate;methyl 4-dimethylphosphoryl-3-oxobutanoate;methylidene(triphenyl)-λ5-phosphane;molecular bromine is BrBr.C=C(/C=C(/OC)O[Si](C)(C)C)O[Si](C)(C)C.C=P(c1ccccc1)(c1ccccc1)c1ccccc1.CC#N.CC(C)(C)[Si](C)(C)O[C@@H](CC(=O)O)CP(C)(C)=O.CC(C)(C)[Si](C)(C)O[C@H](CC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1)CP(C)(C)=O.COC(=O)CC(=O)CBr.COC(=O)CC(=O)CP(C)(C)=O.COC(=O)C[C@@H](O)CP(C)(C)=O.COCc1c(C(C)C)nc(C(C)C)c(/C=C/C(=O)CC(CP(C)(C)=O)O[Si](C)(C)C(C)(C)C)c1-c1ccc(F)cc1.COCc1c(C(C)C)nc(C(C)C)c(/C=C/[C@@H](O)C[C@@H](O)CP(C)(C)=O)c1-c1ccc(F)cc1.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-dimethylphosphorylbutanoic acid;(E)-5-[tert-butyl(dimethyl)silyl]oxy-6-dimethylphosphoryl-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-dimethylphosphoryl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one;(E,2R,4S)-1-dimethylphosphoryl-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;[(1Z)-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;methyl 4-bromo-3-oxobutanoate;methyl (3R)-4-dimethylphosphoryl-3-hydroxybutanoate;methyl 4-dimethylphosphoryl-3-oxobutanoate;methylidene(triphenyl)-λ5-phosphane;molecular bromine?
The InChIKey is VQKBKRIXYQIVKV-ARPOTTQVSA-N. The full InChI is InChI=1S/C33H51FNO4PSi.C31H42O3P2Si.C27H39FNO4P.C20H24FNO2.C19H17P.C12H27O4PSi.C11H24O3Si2.C7H15O4P.C7H13O4P.C5H7BrO3.C2H3N.Br2/c1-22(2)31-28(18-17-26(36)19-27(21-40(9,10)37)39-41(11,12)33(5,6)7)30(24-13-15-25(34)16-14-24)29(20-38-8)32(35-31)23(3)4;1-31(2,3)37(6,7)34-27(25-35(4,5)33)23-26(32)24-36(28-17-11-8-12-18-28,29-19-13-9-14-20-29)30-21-15-10-16-22-30;1-17(2)26-23(13-12-21(30)14-22(31)16-34(6,7)32)25(19-8-10-20(28)11-9-19)24(15-33-5)27(29-26)18(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;1-12(2,3)18(6,7)16-10(8-11(13)14)9-17(4,5)15;1-10(13-15(3,4)5)9-11(12-2)14-16(6,7)8;2*1-11-7(9)4-6(8)5-12(2,3)10;1-9-5(8)2-4(7)3-6;1-2-3;1-2/h13-18,22-23,27H,19-21H2,1-12H3;8-22,24,27H,23,25H2,1-7H3;8-13,17-18,21-22,30-31H,14-16H2,1-7H3;6-10,12-13H,11H2,1-5H3;2-16H,1H2;10H,8-9H2,1-7H3,(H,13,14);9H,1H2,2-8H3;6,8H,4-5H2,1-3H3;4-5H2,1-3H3;2-3H2,1H3;1H3;/b18-17+;;13-12+;;;;11-9-;;;;;/t;27-;21-,22-;;;10-;;6-;;;;/m.11..0.1..../s1.
What are the key properties of acetonitrile;(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-dimethylphosphorylbutanoic acid;(E)-5-[tert-butyl(dimethyl)silyl]oxy-6-dimethylphosphoryl-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-dimethylphosphoryl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one;(E,2R,4S)-1-dimethylphosphoryl-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;[(1Z)-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;methyl 4-bromo-3-oxobutanoate;methyl (3R)-4-dimethylphosphoryl-3-hydroxybutanoate;methyl 4-dimethylphosphoryl-3-oxobutanoate;methylidene(triphenyl)-λ5-phosphane;molecular bromine?
acetonitrile;(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-dimethylphosphorylbutanoic acid;(E)-5-[tert-butyl(dimethyl)silyl]oxy-6-dimethylphosphoryl-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-dimethylphosphoryl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one;(E,2R,4S)-1-dimethylphosphoryl-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;[(1Z)-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;methyl 4-bromo-3-oxobutanoate;methyl (3R)-4-dimethylphosphoryl-3-hydroxybutanoate;methyl 4-dimethylphosphoryl-3-oxobutanoate;methylidene(triphenyl)-λ5-phosphane;molecular bromine has a molecular weight of 3590.93 g/mol, XLogP of 41.73, 66 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-dimethylphosphorylbutanoic acid;(E)-5-[tert-butyl(dimethyl)silyl]oxy-6-dimethylphosphoryl-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-dimethylphosphoryl-1-(triphenyl-λ5-phosphanylidene)pentan-2-one;(E,2R,4S)-1-dimethylphosphoryl-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;[(1Z)-1-methoxy-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane;methyl 4-bromo-3-oxobutanoate;methyl (3R)-4-dimethylphosphoryl-3-hydroxybutanoate;methyl 4-dimethylphosphoryl-3-oxobutanoate;methylidene(triphenyl)-λ5-phosphane;molecular bromine is sourced from PubChem (CID 161370533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).