magnesium;(2S,3S,4R)-2-amino-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N,3-dimethylhexanamide;bis((4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one);(S)-N-[(1R)-1-[(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-2-oxo-1,3-oxazolidin-4-yl]but-3-enyl]-2-methylpropane-2-sulfinamide;(S)-N-[[(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-2-oxo-1,3-oxazolidin-4-yl]methylidene]-2-methylpropane-2-sulfinamide;(4R,5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one;ethanol;(S)-2-methylpropane-2-sulfinamide;prop-1-ene;titanium;bromide

C200H301BrMgN22O29S3Si6Ti — CID 158103056

IUPACmagnesium;(2S,3S,4R)-2-amino-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N,3-dimethylhexanamide;bis((4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one);(S)-N-[(1R)-1-[(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-2-oxo-1,3-oxazolidin-4-yl]but-3-enyl]-2-methylpropane-2-sulfinamide;(S)-N-[[(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-2-oxo-1,3-oxazolidin-4-yl]methylidene]-2-methylpropane-2-sulfinamide;(4R,5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one;ethanol;(S)-2-methylpropane-2-sulfinamide;prop-1-ene;titanium;bromide
SMILESC=CC[C@@H](N[S@@](=O)C(C)(C)C)[C@H]1N(CCCCN=[N+]=[N-])C(=O)O[C@]1(C)[C@@H](CC)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.C=C[CH2-].CC(C)(C)[S@@](N)=O.CCO.CCO.CCO.CCO.CC[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@](C)(O)[C@H](N)C(=O)N(C)[C@H](c1ccccc1)[C@H](O)c1ccccc1.CC[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@]1(C)OC(=O)N(CCCCN=[N+]=[N-])[C@@H]1C=N[S@@](=O)C(C)(C)C.CC[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@]1(C)OC(=O)N(CCCCN=[N+]=[N-])[C@@H]1CO.CC[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@]1(C)OC(=O)N(CCCCN=[N+]=[N-])[C@@H]1CO.CC[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@]1(C)OC(=O)N[C@@H]1CO.[Br-].[Mg+2].[Ti]
InChIInChI=1S/C38H48N2O4Si.C35H53N5O4SSi.C32H47N5O4SSi.2C28H40N4O4Si.C24H33NO4Si.C4H11NOS.C3H5.4C2H6O.BrH.Mg.Ti/c1-7-32(44-45(37(2,3)4,30-24-16-10-17-25-30)31-26-18-11-19-27-31)38(5,43)35(39)36(42)40(6)33(28-20-12-8-13-21-28)34(41)29-22-14-9-15-23-29;1-10-20-29(38-45(42)33(3,4)5)31-35(9,43-32(41)40(31)26-19-18-25-37-39-36)30(11-2)44-46(34(6,7)8,27-21-14-12-15-22-27)28-23-16-13-17-24-28;1-9-28(41-43(31(5,6)7,25-18-12-10-13-19-25)26-20-14-11-15-21-26)32(8)27(24-35-42(39)30(2,3)4)37(29(38)40-32)23-17-16-22-34-36-33;2*1-6-25(28(5)24(21-33)32(26(34)35-28)20-14-13-19-30-31-29)36-37(27(2,3)4,22-15-9-7-10-16-22)23-17-11-8-12-18-23;1-6-21(24(5)20(17-26)25-22(27)28-24)29-30(23(2,3)4,18-13-9-7-10-14-18)19-15-11-8-12-16-19;1-4(2,3)7(5)6;1-3-2;4*1-2-3;;;/h8-27,32-35,41,43H,7,39H2,1-6H3;10,12-17,21-24,29-31,38H,1,11,18-20,25-26H2,2-9H3;10-15,18-21,24,27-28H,9,16-17,22-23H2,1-8H3;2*7-12,15-18,24-25,33H,6,13-14,19-21H2,1-5H3;7-16,20-21,26H,6,17H2,1-5H3,(H,25,27);5H2,1-3H3;3H,1-2H2;4*3H,2H2,1H3;1H;;/q;;;;;;;-1;;;;;;+2;/p-1/t32-,33-,34-,35-,38-;29-,30-,31-,35-,45+;27-,28-,32+,42+;2*24-,25-,28+;20-,21-,24+;7-;;;;;;;;/m1111110......../s1
InChIKeyCIVIWMJSVWCPQK-UVFJZDIOSA-M
MW3894.53 g/mol
LogP30.14
Rot. Bonds72

About magnesium;(2S,3S,4R)-2-amino-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N,3-dimethylhexanamide;bis((4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one);(S)-N-[(1R)-1-[(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-2-oxo-1,3-oxazolidin-4-yl]but-3-enyl]-2-methylpropane-2-sulfinamide;(S)-N-[[(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-2-oxo-1,3-oxazolidin-4-yl]methylidene]-2-methylpropane-2-sulfinamide;(4R,5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one;ethanol;(S)-2-methylpropane-2-sulfinamide;prop-1-ene;titanium;bromide

magnesium;(2S,3S,4R)-2-amino-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N,3-dimethylhexanamide;bis((4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one);(S)-N-[(1R)-1-[(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-2-oxo-1,3-oxazolidin-4-yl]but-3-enyl]-2-methylpropane-2-sulfinamide;(S)-N-[[(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-2-oxo-1,3-oxazolidin-4-yl]methylidene]-2-methylpropane-2-sulfinamide;(4R,5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one;ethanol;(S)-2-methylpropane-2-sulfinamide;prop-1-ene;titanium;bromide (PubChem CID 158103056) has the molecular formula C200H301BrMgN22O29S3Si6Ti and a molecular weight of 3894.53 g/mol. Its IUPAC name is magnesium;(2S,3S,4R)-2-amino-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N,3-dimethylhexanamide;bis((4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one);(S)-N-[(1R)-1-[(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-2-oxo-1,3-oxazolidin-4-yl]but-3-enyl]-2-methylpropane-2-sulfinamide;(S)-N-[[(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-2-oxo-1,3-oxazolidin-4-yl]methylidene]-2-methylpropane-2-sulfinamide;(4R,5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one;ethanol;(S)-2-methylpropane-2-sulfinamide;prop-1-ene;titanium;bromide.

Molecular Properties

Compound Namemagnesium;(2S,3S,4R)-2-amino-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N,3-dimethylhexanamide;bis((4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one);(S)-N-[(1R)-1-[(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-2-oxo-1,3-oxazolidin-4-yl]but-3-enyl]-2-methylpropane-2-sulfinamide;(S)-N-[[(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-2-oxo-1,3-oxazolidin-4-yl]methylidene]-2-methylpropane-2-sulfinamide;(4R,5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one;ethanol;(S)-2-methylpropane-2-sulfinamide;prop-1-ene;titanium;bromide
PubChem CID158103056
Molecular FormulaC200H301BrMgN22O29S3Si6Ti
Molecular Weight3894.53 g/mol
Exact Mass3889.90
IUPAC Namemagnesium;(2S,3S,4R)-2-amino-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N,3-dimethylhexanamide;bis((4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one);(S)-N-[(1R)-1-[(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-2-oxo-1,3-oxazolidin-4-yl]but-3-enyl]-2-methylpropane-2-sulfinamide;(S)-N-[[(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-2-oxo-1,3-oxazolidin-4-yl]methylidene]-2-methylpropane-2-sulfinamide;(4R,5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one;ethanol;(S)-2-methylpropane-2-sulfinamide;prop-1-ene;titanium;bromide
SMILESC=CC[C@@H](N[S@@](=O)C(C)(C)C)[C@H]1N(CCCCN=[N+]=[N-])C(=O)O[C@]1(C)[C@@H](CC)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.C=C[CH2-].CC(C)(C)[S@@](N)=O.CCO.CCO.CCO.CCO.CC[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@](C)(O)[C@H](N)C(=O)N(C)[C@H](c1ccccc1)[C@H](O)c1ccccc1.CC[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@]1(C)OC(=O)N(CCCCN=[N+]=[N-])[C@@H]1C=N[S@@](=O)C(C)(C)C.CC[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@]1(C)OC(=O)N(CCCCN=[N+]=[N-])[C@@H]1CO.CC[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@]1(C)OC(=O)N(CCCCN=[N+]=[N-])[C@@H]1CO.CC[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@]1(C)OC(=O)N[C@@H]1CO.[Br-].[Mg+2].[Ti]
InChIInChI=1S/C38H48N2O4Si.C35H53N5O4SSi.C32H47N5O4SSi.2C28H40N4O4Si.C24H33NO4Si.C4H11NOS.C3H5.4C2H6O.BrH.Mg.Ti/c1-7-32(44-45(37(2,3)4,30-24-16-10-17-25-30)31-26-18-11-19-27-31)38(5,43)35(39)36(42)40(6)33(28-20-12-8-13-21-28)34(41)29-22-14-9-15-23-29;1-10-20-29(38-45(42)33(3,4)5)31-35(9,43-32(41)40(31)26-19-18-25-37-39-36)30(11-2)44-46(34(6,7)8,27-21-14-12-15-22-27)28-23-16-13-17-24-28;1-9-28(41-43(31(5,6)7,25-18-12-10-13-19-25)26-20-14-11-15-21-26)32(8)27(24-35-42(39)30(2,3)4)37(29(38)40-32)23-17-16-22-34-36-33;2*1-6-25(28(5)24(21-33)32(26(34)35-28)20-14-13-19-30-31-29)36-37(27(2,3)4,22-15-9-7-10-16-22)23-17-11-8-12-18-23;1-6-21(24(5)20(17-26)25-22(27)28-24)29-30(23(2,3)4,18-13-9-7-10-14-18)19-15-11-8-12-16-19;1-4(2,3)7(5)6;1-3-2;4*1-2-3;;;/h8-27,32-35,41,43H,7,39H2,1-6H3;10,12-17,21-24,29-31,38H,1,11,18-20,25-26H2,2-9H3;10-15,18-21,24,27-28H,9,16-17,22-23H2,1-8H3;2*7-12,15-18,24-25,33H,6,13-14,19-21H2,1-5H3;7-16,20-21,26H,6,17H2,1-5H3,(H,25,27);5H2,1-3H3;3H,1-2H2;4*3H,2H2,1H3;1H;;/q;;;;;;;-1;;;;;;+2;/p-1/t32-,33-,34-,35-,38-;29-,30-,31-,35-,45+;27-,28-,32+,42+;2*24-,25-,28+;20-,21-,24+;7-;;;;;;;;/m1111110......../s1
InChIKeyCIVIWMJSVWCPQK-UVFJZDIOSA-M
XLogP30.14
TPSA736.93 Ų
H-Bond Donors13
H-Bond Acceptors34
Rotatable Bonds72
Heavy Atoms263
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003894.53
LogP ≤ 530.14
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1034

Analyze magnesium;(2S,3S,4R)-2-amino-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N,3-dimethylhexanamide;bis((4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one);(S)-N-[(1R)-1-[(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-2-oxo-1,3-oxazolidin-4-yl]but-3-enyl]-2-methylpropane-2-sulfinamide;(S)-N-[[(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-2-oxo-1,3-oxazolidin-4-yl]methylidene]-2-methylpropane-2-sulfinamide;(4R,5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one;ethanol;(S)-2-methylpropane-2-sulfinamide;prop-1-ene;titanium;bromide with MolForge

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Frequently Asked Questions

What is the IUPAC name of magnesium;(2S,3S,4R)-2-amino-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N,3-dimethylhexanamide;bis((4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one);(S)-N-[(1R)-1-[(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-2-oxo-1,3-oxazolidin-4-yl]but-3-enyl]-2-methylpropane-2-sulfinamide;(S)-N-[[(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-2-oxo-1,3-oxazolidin-4-yl]methylidene]-2-methylpropane-2-sulfinamide;(4R,5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one;ethanol;(S)-2-methylpropane-2-sulfinamide;prop-1-ene;titanium;bromide?
The IUPAC name of magnesium;(2S,3S,4R)-2-amino-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N,3-dimethylhexanamide;bis((4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one);(S)-N-[(1R)-1-[(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-2-oxo-1,3-oxazolidin-4-yl]but-3-enyl]-2-methylpropane-2-sulfinamide;(S)-N-[[(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-2-oxo-1,3-oxazolidin-4-yl]methylidene]-2-methylpropane-2-sulfinamide;(4R,5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one;ethanol;(S)-2-methylpropane-2-sulfinamide;prop-1-ene;titanium;bromide (CID 158103056) is magnesium;(2S,3S,4R)-2-amino-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N,3-dimethylhexanamide;bis((4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one);(S)-N-[(1R)-1-[(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-2-oxo-1,3-oxazolidin-4-yl]but-3-enyl]-2-methylpropane-2-sulfinamide;(S)-N-[[(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-2-oxo-1,3-oxazolidin-4-yl]methylidene]-2-methylpropane-2-sulfinamide;(4R,5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one;ethanol;(S)-2-methylpropane-2-sulfinamide;prop-1-ene;titanium;bromide.
What is the SMILES notation for magnesium;(2S,3S,4R)-2-amino-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N,3-dimethylhexanamide;bis((4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one);(S)-N-[(1R)-1-[(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-2-oxo-1,3-oxazolidin-4-yl]but-3-enyl]-2-methylpropane-2-sulfinamide;(S)-N-[[(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-2-oxo-1,3-oxazolidin-4-yl]methylidene]-2-methylpropane-2-sulfinamide;(4R,5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one;ethanol;(S)-2-methylpropane-2-sulfinamide;prop-1-ene;titanium;bromide?
The canonical SMILES for magnesium;(2S,3S,4R)-2-amino-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N,3-dimethylhexanamide;bis((4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one);(S)-N-[(1R)-1-[(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-2-oxo-1,3-oxazolidin-4-yl]but-3-enyl]-2-methylpropane-2-sulfinamide;(S)-N-[[(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-2-oxo-1,3-oxazolidin-4-yl]methylidene]-2-methylpropane-2-sulfinamide;(4R,5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one;ethanol;(S)-2-methylpropane-2-sulfinamide;prop-1-ene;titanium;bromide is C=CC[C@@H](N[S@@](=O)C(C)(C)C)[C@H]1N(CCCCN=[N+]=[N-])C(=O)O[C@]1(C)[C@@H](CC)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.C=C[CH2-].CC(C)(C)[S@@](N)=O.CCO.CCO.CCO.CCO.CC[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@](C)(O)[C@H](N)C(=O)N(C)[C@H](c1ccccc1)[C@H](O)c1ccccc1.CC[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@]1(C)OC(=O)N(CCCCN=[N+]=[N-])[C@@H]1C=N[S@@](=O)C(C)(C)C.CC[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@]1(C)OC(=O)N(CCCCN=[N+]=[N-])[C@@H]1CO.CC[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@]1(C)OC(=O)N(CCCCN=[N+]=[N-])[C@@H]1CO.CC[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@]1(C)OC(=O)N[C@@H]1CO.[Br-].[Mg+2].[Ti].
What is the InChIKey of magnesium;(2S,3S,4R)-2-amino-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N,3-dimethylhexanamide;bis((4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one);(S)-N-[(1R)-1-[(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-2-oxo-1,3-oxazolidin-4-yl]but-3-enyl]-2-methylpropane-2-sulfinamide;(S)-N-[[(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-2-oxo-1,3-oxazolidin-4-yl]methylidene]-2-methylpropane-2-sulfinamide;(4R,5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one;ethanol;(S)-2-methylpropane-2-sulfinamide;prop-1-ene;titanium;bromide?
The InChIKey is CIVIWMJSVWCPQK-UVFJZDIOSA-M. The full InChI is InChI=1S/C38H48N2O4Si.C35H53N5O4SSi.C32H47N5O4SSi.2C28H40N4O4Si.C24H33NO4Si.C4H11NOS.C3H5.4C2H6O.BrH.Mg.Ti/c1-7-32(44-45(37(2,3)4,30-24-16-10-17-25-30)31-26-18-11-19-27-31)38(5,43)35(39)36(42)40(6)33(28-20-12-8-13-21-28)34(41)29-22-14-9-15-23-29;1-10-20-29(38-45(42)33(3,4)5)31-35(9,43-32(41)40(31)26-19-18-25-37-39-36)30(11-2)44-46(34(6,7)8,27-21-14-12-15-22-27)28-23-16-13-17-24-28;1-9-28(41-43(31(5,6)7,25-18-12-10-13-19-25)26-20-14-11-15-21-26)32(8)27(24-35-42(39)30(2,3)4)37(29(38)40-32)23-17-16-22-34-36-33;2*1-6-25(28(5)24(21-33)32(26(34)35-28)20-14-13-19-30-31-29)36-37(27(2,3)4,22-15-9-7-10-16-22)23-17-11-8-12-18-23;1-6-21(24(5)20(17-26)25-22(27)28-24)29-30(23(2,3)4,18-13-9-7-10-14-18)19-15-11-8-12-16-19;1-4(2,3)7(5)6;1-3-2;4*1-2-3;;;/h8-27,32-35,41,43H,7,39H2,1-6H3;10,12-17,21-24,29-31,38H,1,11,18-20,25-26H2,2-9H3;10-15,18-21,24,27-28H,9,16-17,22-23H2,1-8H3;2*7-12,15-18,24-25,33H,6,13-14,19-21H2,1-5H3;7-16,20-21,26H,6,17H2,1-5H3,(H,25,27);5H2,1-3H3;3H,1-2H2;4*3H,2H2,1H3;1H;;/q;;;;;;;-1;;;;;;+2;/p-1/t32-,33-,34-,35-,38-;29-,30-,31-,35-,45+;27-,28-,32+,42+;2*24-,25-,28+;20-,21-,24+;7-;;;;;;;;/m1111110......../s1.
What are the key properties of magnesium;(2S,3S,4R)-2-amino-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N,3-dimethylhexanamide;bis((4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one);(S)-N-[(1R)-1-[(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-2-oxo-1,3-oxazolidin-4-yl]but-3-enyl]-2-methylpropane-2-sulfinamide;(S)-N-[[(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-2-oxo-1,3-oxazolidin-4-yl]methylidene]-2-methylpropane-2-sulfinamide;(4R,5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one;ethanol;(S)-2-methylpropane-2-sulfinamide;prop-1-ene;titanium;bromide?
magnesium;(2S,3S,4R)-2-amino-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N,3-dimethylhexanamide;bis((4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one);(S)-N-[(1R)-1-[(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-2-oxo-1,3-oxazolidin-4-yl]but-3-enyl]-2-methylpropane-2-sulfinamide;(S)-N-[[(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-2-oxo-1,3-oxazolidin-4-yl]methylidene]-2-methylpropane-2-sulfinamide;(4R,5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one;ethanol;(S)-2-methylpropane-2-sulfinamide;prop-1-ene;titanium;bromide has a molecular weight of 3894.53 g/mol, XLogP of 30.14, 72 rotatable bonds, 13 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;(2S,3S,4R)-2-amino-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N,3-dimethylhexanamide;bis((4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one);(S)-N-[(1R)-1-[(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-2-oxo-1,3-oxazolidin-4-yl]but-3-enyl]-2-methylpropane-2-sulfinamide;(S)-N-[[(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-2-oxo-1,3-oxazolidin-4-yl]methylidene]-2-methylpropane-2-sulfinamide;(4R,5S)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one;ethanol;(S)-2-methylpropane-2-sulfinamide;prop-1-ene;titanium;bromide is sourced from PubChem (CID 158103056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).