6-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]hexan-1-amine;N-[6-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]hexyl]-2-nitro-4-pyridin-2-ylaniline;N-[6-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]hexyl]-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;2-bromopyridine;2-(4-fluoro-3-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-(2-nitro-4-pyridin-2-ylanilino)hexyl]piperidine-3,4,5-triol;methane

C160H297B2BrFN15O25Si9 — CID 162167657

IUPAC6-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]hexan-1-amine;N-[6-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]hexyl]-2-nitro-4-pyridin-2-ylaniline;N-[6-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]hexyl]-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;2-bromopyridine;2-(4-fluoro-3-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-(2-nitro-4-pyridin-2-ylanilino)hexyl]piperidine-3,4,5-triol;methane
SMILESBrc1ccccn1.C.C.C.C.CC1(C)OB(c2ccc(F)c([N+](=O)[O-])c2)OC1(C)C.C[C@H]1CN(CCCCCCN)[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C.C[C@H]1CN(CCCCCCNc2ccc(-c3ccccn3)cc2[N+](=O)[O-])[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C.C[C@H]1CN(CCCCCCNc2ccc(B3OC(C)(C)C(C)(C)O3)cc2[N+](=O)[O-])[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C.O=[N+]([O-])c1cc(-c2ccccn2)ccc1NCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
InChIInChI=1S/C43H84BN3O7Si3.C42H76N4O5Si3.C31H70N2O3Si3.C23H32N4O6.C12H15BFNO4.C5H4BrN.4CH4/c1-32-30-46(28-24-22-21-23-27-45-34-26-25-33(29-35(34)47(48)49)44-53-42(11,12)43(13,14)54-44)36(31-50-55(15,16)39(2,3)4)38(52-57(19,20)41(8,9)10)37(32)51-56(17,18)40(5,6)7;1-32-30-45(28-22-18-17-20-26-44-35-25-24-33(29-36(35)46(47)48)34-23-19-21-27-43-34)37(31-49-52(11,12)40(2,3)4)39(51-54(15,16)42(8,9)10)38(32)50-53(13,14)41(5,6)7;1-25-23-33(22-20-18-17-19-21-32)26(24-34-37(11,12)29(2,3)4)28(36-39(15,16)31(8,9)10)27(25)35-38(13,14)30(5,6)7;28-15-20-22(30)23(31)21(29)14-26(20)12-6-2-1-4-10-25-18-9-8-16(13-19(18)27(32)33)17-7-3-5-11-24-17;1-11(2)12(3,4)19-13(18-11)8-5-6-9(14)10(7-8)15(16)17;6-5-3-1-2-4-7-5;;;;/h25-26,29,32,36-38,45H,21-24,27-28,30-31H2,1-20H3;19,21,23-25,27,29,32,37-39,44H,17-18,20,22,26,28,30-31H2,1-16H3;25-28H,17-24,32H2,1-16H3;3,5,7-9,11,13,20-23,25,28-31H,1-2,4,6,10,12,14-15H2;5-7H,1-4H3;1-4H;4*1H4/t32-,36+,37+,38+;32-,37+,38+,39+;25-,26+,27+,28+;20-,21+,22-,23-;;;;;;/m0001....../s1
InChIKeyZNIUOUNSFILLDV-BTDNZHKESA-N
MW3204.52 g/mol
LogP39.18
Rot. Bonds60

About 6-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]hexan-1-amine;N-[6-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]hexyl]-2-nitro-4-pyridin-2-ylaniline;N-[6-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]hexyl]-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;2-bromopyridine;2-(4-fluoro-3-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-(2-nitro-4-pyridin-2-ylanilino)hexyl]piperidine-3,4,5-triol;methane

6-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]hexan-1-amine;N-[6-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]hexyl]-2-nitro-4-pyridin-2-ylaniline;N-[6-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]hexyl]-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;2-bromopyridine;2-(4-fluoro-3-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-(2-nitro-4-pyridin-2-ylanilino)hexyl]piperidine-3,4,5-triol;methane (PubChem CID 162167657) has the molecular formula C160H297B2BrFN15O25Si9 and a molecular weight of 3204.52 g/mol. Its IUPAC name is 6-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]hexan-1-amine;N-[6-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]hexyl]-2-nitro-4-pyridin-2-ylaniline;N-[6-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]hexyl]-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;2-bromopyridine;2-(4-fluoro-3-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-(2-nitro-4-pyridin-2-ylanilino)hexyl]piperidine-3,4,5-triol;methane.

Molecular Properties

Compound Name6-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]hexan-1-amine;N-[6-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]hexyl]-2-nitro-4-pyridin-2-ylaniline;N-[6-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]hexyl]-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;2-bromopyridine;2-(4-fluoro-3-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-(2-nitro-4-pyridin-2-ylanilino)hexyl]piperidine-3,4,5-triol;methane
PubChem CID162167657
Molecular FormulaC160H297B2BrFN15O25Si9
Molecular Weight3204.52 g/mol
Exact Mass3200.97
IUPAC Name6-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]hexan-1-amine;N-[6-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]hexyl]-2-nitro-4-pyridin-2-ylaniline;N-[6-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]hexyl]-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;2-bromopyridine;2-(4-fluoro-3-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-(2-nitro-4-pyridin-2-ylanilino)hexyl]piperidine-3,4,5-triol;methane
SMILESBrc1ccccn1.C.C.C.C.CC1(C)OB(c2ccc(F)c([N+](=O)[O-])c2)OC1(C)C.C[C@H]1CN(CCCCCCN)[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C.C[C@H]1CN(CCCCCCNc2ccc(-c3ccccn3)cc2[N+](=O)[O-])[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C.C[C@H]1CN(CCCCCCNc2ccc(B3OC(C)(C)C(C)(C)O3)cc2[N+](=O)[O-])[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C.O=[N+]([O-])c1cc(-c2ccccn2)ccc1NCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
InChIInChI=1S/C43H84BN3O7Si3.C42H76N4O5Si3.C31H70N2O3Si3.C23H32N4O6.C12H15BFNO4.C5H4BrN.4CH4/c1-32-30-46(28-24-22-21-23-27-45-34-26-25-33(29-35(34)47(48)49)44-53-42(11,12)43(13,14)54-44)36(31-50-55(15,16)39(2,3)4)38(52-57(19,20)41(8,9)10)37(32)51-56(17,18)40(5,6)7;1-32-30-45(28-22-18-17-20-26-44-35-25-24-33(29-36(35)46(47)48)34-23-19-21-27-43-34)37(31-49-52(11,12)40(2,3)4)39(51-54(15,16)42(8,9)10)38(32)50-53(13,14)41(5,6)7;1-25-23-33(22-20-18-17-19-21-32)26(24-34-37(11,12)29(2,3)4)28(36-39(15,16)31(8,9)10)27(25)35-38(13,14)30(5,6)7;28-15-20-22(30)23(31)21(29)14-26(20)12-6-2-1-4-10-25-18-9-8-16(13-19(18)27(32)33)17-7-3-5-11-24-17;1-11(2)12(3,4)19-13(18-11)8-5-6-9(14)10(7-8)15(16)17;6-5-3-1-2-4-7-5;;;;/h25-26,29,32,36-38,45H,21-24,27-28,30-31H2,1-20H3;19,21,23-25,27,29,32,37-39,44H,17-18,20,22,26,28,30-31H2,1-16H3;25-28H,17-24,32H2,1-16H3;3,5,7-9,11,13,20-23,25,28-31H,1-2,4,6,10,12,14-15H2;5-7H,1-4H3;1-4H;4*1H4/t32-,36+,37+,38+;32-,37+,38+,39+;25-,26+,27+,28+;20-,21+,22-,23-;;;;;;/m0001....../s1
InChIKeyZNIUOUNSFILLDV-BTDNZHKESA-N
XLogP39.18
TPSA487.21 Ų
H-Bond Donors8
H-Bond Acceptors36
Rotatable Bonds60
Heavy Atoms213
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003204.52
LogP ≤ 539.18
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1036

Analyze 6-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]hexan-1-amine;N-[6-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]hexyl]-2-nitro-4-pyridin-2-ylaniline;N-[6-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]hexyl]-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;2-bromopyridine;2-(4-fluoro-3-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-(2-nitro-4-pyridin-2-ylanilino)hexyl]piperidine-3,4,5-triol;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]hexan-1-amine;N-[6-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]hexyl]-2-nitro-4-pyridin-2-ylaniline;N-[6-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]hexyl]-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;2-bromopyridine;2-(4-fluoro-3-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-(2-nitro-4-pyridin-2-ylanilino)hexyl]piperidine-3,4,5-triol;methane?
The IUPAC name of 6-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]hexan-1-amine;N-[6-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]hexyl]-2-nitro-4-pyridin-2-ylaniline;N-[6-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]hexyl]-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;2-bromopyridine;2-(4-fluoro-3-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-(2-nitro-4-pyridin-2-ylanilino)hexyl]piperidine-3,4,5-triol;methane (CID 162167657) is 6-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]hexan-1-amine;N-[6-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]hexyl]-2-nitro-4-pyridin-2-ylaniline;N-[6-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]hexyl]-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;2-bromopyridine;2-(4-fluoro-3-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-(2-nitro-4-pyridin-2-ylanilino)hexyl]piperidine-3,4,5-triol;methane.
What is the SMILES notation for 6-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]hexan-1-amine;N-[6-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]hexyl]-2-nitro-4-pyridin-2-ylaniline;N-[6-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]hexyl]-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;2-bromopyridine;2-(4-fluoro-3-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-(2-nitro-4-pyridin-2-ylanilino)hexyl]piperidine-3,4,5-triol;methane?
The canonical SMILES for 6-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]hexan-1-amine;N-[6-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]hexyl]-2-nitro-4-pyridin-2-ylaniline;N-[6-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]hexyl]-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;2-bromopyridine;2-(4-fluoro-3-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-(2-nitro-4-pyridin-2-ylanilino)hexyl]piperidine-3,4,5-triol;methane is Brc1ccccn1.C.C.C.C.CC1(C)OB(c2ccc(F)c([N+](=O)[O-])c2)OC1(C)C.C[C@H]1CN(CCCCCCN)[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C.C[C@H]1CN(CCCCCCNc2ccc(-c3ccccn3)cc2[N+](=O)[O-])[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C.C[C@H]1CN(CCCCCCNc2ccc(B3OC(C)(C)C(C)(C)O3)cc2[N+](=O)[O-])[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C.O=[N+]([O-])c1cc(-c2ccccn2)ccc1NCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO.
What is the InChIKey of 6-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]hexan-1-amine;N-[6-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]hexyl]-2-nitro-4-pyridin-2-ylaniline;N-[6-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]hexyl]-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;2-bromopyridine;2-(4-fluoro-3-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-(2-nitro-4-pyridin-2-ylanilino)hexyl]piperidine-3,4,5-triol;methane?
The InChIKey is ZNIUOUNSFILLDV-BTDNZHKESA-N. The full InChI is InChI=1S/C43H84BN3O7Si3.C42H76N4O5Si3.C31H70N2O3Si3.C23H32N4O6.C12H15BFNO4.C5H4BrN.4CH4/c1-32-30-46(28-24-22-21-23-27-45-34-26-25-33(29-35(34)47(48)49)44-53-42(11,12)43(13,14)54-44)36(31-50-55(15,16)39(2,3)4)38(52-57(19,20)41(8,9)10)37(32)51-56(17,18)40(5,6)7;1-32-30-45(28-22-18-17-20-26-44-35-25-24-33(29-36(35)46(47)48)34-23-19-21-27-43-34)37(31-49-52(11,12)40(2,3)4)39(51-54(15,16)42(8,9)10)38(32)50-53(13,14)41(5,6)7;1-25-23-33(22-20-18-17-19-21-32)26(24-34-37(11,12)29(2,3)4)28(36-39(15,16)31(8,9)10)27(25)35-38(13,14)30(5,6)7;28-15-20-22(30)23(31)21(29)14-26(20)12-6-2-1-4-10-25-18-9-8-16(13-19(18)27(32)33)17-7-3-5-11-24-17;1-11(2)12(3,4)19-13(18-11)8-5-6-9(14)10(7-8)15(16)17;6-5-3-1-2-4-7-5;;;;/h25-26,29,32,36-38,45H,21-24,27-28,30-31H2,1-20H3;19,21,23-25,27,29,32,37-39,44H,17-18,20,22,26,28,30-31H2,1-16H3;25-28H,17-24,32H2,1-16H3;3,5,7-9,11,13,20-23,25,28-31H,1-2,4,6,10,12,14-15H2;5-7H,1-4H3;1-4H;4*1H4/t32-,36+,37+,38+;32-,37+,38+,39+;25-,26+,27+,28+;20-,21+,22-,23-;;;;;;/m0001....../s1.
What are the key properties of 6-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]hexan-1-amine;N-[6-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]hexyl]-2-nitro-4-pyridin-2-ylaniline;N-[6-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]hexyl]-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;2-bromopyridine;2-(4-fluoro-3-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-(2-nitro-4-pyridin-2-ylanilino)hexyl]piperidine-3,4,5-triol;methane?
6-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]hexan-1-amine;N-[6-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]hexyl]-2-nitro-4-pyridin-2-ylaniline;N-[6-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]hexyl]-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;2-bromopyridine;2-(4-fluoro-3-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-(2-nitro-4-pyridin-2-ylanilino)hexyl]piperidine-3,4,5-triol;methane has a molecular weight of 3204.52 g/mol, XLogP of 39.18, 60 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]hexan-1-amine;N-[6-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]hexyl]-2-nitro-4-pyridin-2-ylaniline;N-[6-[(2R,3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]hexyl]-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;2-bromopyridine;2-(4-fluoro-3-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-(2-nitro-4-pyridin-2-ylanilino)hexyl]piperidine-3,4,5-triol;methane is sourced from PubChem (CID 162167657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).