About (3R,4R,6S)-5-amino-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxan-4-ol;N-[(2R,4S,5S)-2-[(3R,4R,6R)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-4-yl]oxy-6-[(4-methoxyphenyl)methoxymethyl]-4,5-dimethyloxan-3-yl]-2,2,2-trifluoroacetamide;2-[(2R,4R,5R)-5-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-2-methoxyoxan-3-yl]isoindole-1,3-dione;2-[(2S,4R,5R)-5-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-2-methylsulfanyloxan-3-yl]isoindole-1,3-dione;[(4S,5S)-6-[(4-methoxyphenyl)methoxymethyl]-4,5-dimethyl-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl] 2,2,2-trichloroethanimidate
(3R,4R,6S)-5-amino-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxan-4-ol;N-[(2R,4S,5S)-2-[(3R,4R,6R)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-4-yl]oxy-6-[(4-methoxyphenyl)methoxymethyl]-4,5-dimethyloxan-3-yl]-2,2,2-trifluoroacetamide;2-[(2R,4R,5R)-5-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-2-methoxyoxan-3-yl]isoindole-1,3-dione;2-[(2S,4R,5R)-5-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-2-methylsulfanyloxan-3-yl]isoindole-1,3-dione;[(4S,5S)-6-[(4-methoxyphenyl)methoxymethyl]-4,5-dimethyl-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl] 2,2,2-trichloroethanimidate (PubChem CID 123357396) has the molecular formula C155H182Cl3F6N19O28S2Si4
and a molecular weight of 3156.09 g/mol. Its IUPAC name is (3R,4R,6S)-5-amino-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxan-4-ol;N-[(2R,4S,5S)-2-[(3R,4R,6R)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-4-yl]oxy-6-[(4-methoxyphenyl)methoxymethyl]-4,5-dimethyloxan-3-yl]-2,2,2-trifluoroacetamide;2-[(2R,4R,5R)-5-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-2-methoxyoxan-3-yl]isoindole-1,3-dione;2-[(2S,4R,5R)-5-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-2-methylsulfanyloxan-3-yl]isoindole-1,3-dione;[(4S,5S)-6-[(4-methoxyphenyl)methoxymethyl]-4,5-dimethyl-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl] 2,2,2-trichloroethanimidate.
Frequently Asked Questions
What is the IUPAC name of (3R,4R,6S)-5-amino-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxan-4-ol;N-[(2R,4S,5S)-2-[(3R,4R,6R)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-4-yl]oxy-6-[(4-methoxyphenyl)methoxymethyl]-4,5-dimethyloxan-3-yl]-2,2,2-trifluoroacetamide;2-[(2R,4R,5R)-5-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-2-methoxyoxan-3-yl]isoindole-1,3-dione;2-[(2S,4R,5R)-5-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-2-methylsulfanyloxan-3-yl]isoindole-1,3-dione;[(4S,5S)-6-[(4-methoxyphenyl)methoxymethyl]-4,5-dimethyl-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl] 2,2,2-trichloroethanimidate?
The IUPAC name of (3R,4R,6S)-5-amino-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxan-4-ol;N-[(2R,4S,5S)-2-[(3R,4R,6R)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-4-yl]oxy-6-[(4-methoxyphenyl)methoxymethyl]-4,5-dimethyloxan-3-yl]-2,2,2-trifluoroacetamide;2-[(2R,4R,5R)-5-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-2-methoxyoxan-3-yl]isoindole-1,3-dione;2-[(2S,4R,5R)-5-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-2-methylsulfanyloxan-3-yl]isoindole-1,3-dione;[(4S,5S)-6-[(4-methoxyphenyl)methoxymethyl]-4,5-dimethyl-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl] 2,2,2-trichloroethanimidate (CID 123357396) is (3R,4R,6S)-5-amino-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxan-4-ol;N-[(2R,4S,5S)-2-[(3R,4R,6R)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-4-yl]oxy-6-[(4-methoxyphenyl)methoxymethyl]-4,5-dimethyloxan-3-yl]-2,2,2-trifluoroacetamide;2-[(2R,4R,5R)-5-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-2-methoxyoxan-3-yl]isoindole-1,3-dione;2-[(2S,4R,5R)-5-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-2-methylsulfanyloxan-3-yl]isoindole-1,3-dione;[(4S,5S)-6-[(4-methoxyphenyl)methoxymethyl]-4,5-dimethyl-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl] 2,2,2-trichloroethanimidate.
What is the SMILES notation for (3R,4R,6S)-5-amino-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxan-4-ol;N-[(2R,4S,5S)-2-[(3R,4R,6R)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-4-yl]oxy-6-[(4-methoxyphenyl)methoxymethyl]-4,5-dimethyloxan-3-yl]-2,2,2-trifluoroacetamide;2-[(2R,4R,5R)-5-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-2-methoxyoxan-3-yl]isoindole-1,3-dione;2-[(2S,4R,5R)-5-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-2-methylsulfanyloxan-3-yl]isoindole-1,3-dione;[(4S,5S)-6-[(4-methoxyphenyl)methoxymethyl]-4,5-dimethyl-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl] 2,2,2-trichloroethanimidate?
The canonical SMILES for (3R,4R,6S)-5-amino-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxan-4-ol;N-[(2R,4S,5S)-2-[(3R,4R,6R)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-4-yl]oxy-6-[(4-methoxyphenyl)methoxymethyl]-4,5-dimethyloxan-3-yl]-2,2,2-trifluoroacetamide;2-[(2R,4R,5R)-5-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-2-methoxyoxan-3-yl]isoindole-1,3-dione;2-[(2S,4R,5R)-5-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-2-methylsulfanyloxan-3-yl]isoindole-1,3-dione;[(4S,5S)-6-[(4-methoxyphenyl)methoxymethyl]-4,5-dimethyl-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl] 2,2,2-trichloroethanimidate is CO[C@@H]1OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](N=[N+]=[N-])[C@H](O)C1N1C(=O)c2ccccc2C1=O.COc1ccc(COCC2O[C@@H](O[C@@H]3C(N4C(=O)c5ccccc5C4=O)[C@H](OC)OC(CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)[C@@H]3N=[N+]=[N-])C(NC(=O)C(F)(F)F)[C@@H](C)[C@@H]2C)cc1.CS[C@@H]1OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](N=[N+]=[N-])[C@H](C)C1N1C(=O)c2ccccc2C1=O.CS[C@@H]1OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](N=[N+]=[N-])[C@H](O)C1N.[H]/N=C(/OC1OC(COCc2ccc(OC)cc2)[C@@H](C)[C@H](C)C1NC(=O)C(F)(F)F)C(Cl)(Cl)Cl.
What is the InChIKey of (3R,4R,6S)-5-amino-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxan-4-ol;N-[(2R,4S,5S)-2-[(3R,4R,6R)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-4-yl]oxy-6-[(4-methoxyphenyl)methoxymethyl]-4,5-dimethyloxan-3-yl]-2,2,2-trifluoroacetamide;2-[(2R,4R,5R)-5-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-2-methoxyoxan-3-yl]isoindole-1,3-dione;2-[(2S,4R,5R)-5-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-2-methylsulfanyloxan-3-yl]isoindole-1,3-dione;[(4S,5S)-6-[(4-methoxyphenyl)methoxymethyl]-4,5-dimethyl-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl] 2,2,2-trichloroethanimidate?
The InChIKey is FJTRTFFOFZTWGG-FYBOTRIBSA-N. The full InChI is InChI=1S/C49H56F3N5O10Si.C32H36N4O4SSi.C31H34N4O6Si.C23H32N4O3SSi.C20H24Cl3F3N2O5/c1-29-30(2)39(54-47(60)49(50,51)52)45(65-37(29)27-63-26-31-22-24-32(61-6)25-23-31)67-42-40(55-56-53)38(66-46(62-7)41(42)57-43(58)35-20-14-15-21-36(35)44(57)59)28-64-68(48(3,4)5,33-16-10-8-11-17-33)34-18-12-9-13-19-34;1-21-27(34-35-33)26(40-31(41-5)28(21)36-29(37)24-18-12-13-19-25(24)30(36)38)20-39-42(32(2,3)4,22-14-8-6-9-15-22)23-16-10-7-11-17-23;1-31(2,3)42(20-13-7-5-8-14-20,21-15-9-6-10-16-21)40-19-24-25(33-34-32)27(36)26(30(39-4)41-24)35-28(37)22-17-11-12-18-23(22)29(35)38;1-23(2,3)32(16-11-7-5-8-12-16,17-13-9-6-10-14-17)29-15-18-20(26-27-25)21(28)19(24)22(30-18)31-4;1-10-11(2)15(28-18(29)20(24,25)26)16(33-17(27)19(21,22)23)32-14(10)9-31-8-12-4-6-13(30-3)7-5-12/h8-25,29-30,37-42,45-46H,26-28H2,1-7H3,(H,54,60);6-19,21,26-28,31H,20H2,1-5H3;5-18,24-27,30,36H,19H2,1-4H3;5-14,18-22,28H,15,24H2,1-4H3;4-7,10-11,14-16,27H,8-9H2,1-3H3,(H,28,29)/b;;;;27-17+/t29-,30-,37?,38?,39?,40-,41?,42-,45-,46+;21-,26?,27+,28?,31-;24?,25-,26?,27-,30+;18?,19?,20-,21+,22-;10-,11-,14?,15?,16?/m00000/s1.
What are the key properties of (3R,4R,6S)-5-amino-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxan-4-ol;N-[(2R,4S,5S)-2-[(3R,4R,6R)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-4-yl]oxy-6-[(4-methoxyphenyl)methoxymethyl]-4,5-dimethyloxan-3-yl]-2,2,2-trifluoroacetamide;2-[(2R,4R,5R)-5-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-2-methoxyoxan-3-yl]isoindole-1,3-dione;2-[(2S,4R,5R)-5-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-2-methylsulfanyloxan-3-yl]isoindole-1,3-dione;[(4S,5S)-6-[(4-methoxyphenyl)methoxymethyl]-4,5-dimethyl-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl] 2,2,2-trichloroethanimidate?
(3R,4R,6S)-5-amino-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxan-4-ol;N-[(2R,4S,5S)-2-[(3R,4R,6R)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-4-yl]oxy-6-[(4-methoxyphenyl)methoxymethyl]-4,5-dimethyloxan-3-yl]-2,2,2-trifluoroacetamide;2-[(2R,4R,5R)-5-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-2-methoxyoxan-3-yl]isoindole-1,3-dione;2-[(2S,4R,5R)-5-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-2-methylsulfanyloxan-3-yl]isoindole-1,3-dione;[(4S,5S)-6-[(4-methoxyphenyl)methoxymethyl]-4,5-dimethyl-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl] 2,2,2-trichloroethanimidate has a molecular weight of 3156.09 g/mol, XLogP of 23.84, 46 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,6S)-5-amino-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxan-4-ol;N-[(2R,4S,5S)-2-[(3R,4R,6R)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(1,3-dioxoisoindol-2-yl)-6-methoxyoxan-4-yl]oxy-6-[(4-methoxyphenyl)methoxymethyl]-4,5-dimethyloxan-3-yl]-2,2,2-trifluoroacetamide;2-[(2R,4R,5R)-5-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-2-methoxyoxan-3-yl]isoindole-1,3-dione;2-[(2S,4R,5R)-5-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-2-methylsulfanyloxan-3-yl]isoindole-1,3-dione;[(4S,5S)-6-[(4-methoxyphenyl)methoxymethyl]-4,5-dimethyl-3-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl] 2,2,2-trichloroethanimidate is sourced from PubChem (CID 123357396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).