magnesium;(4R,5S)-4-[(1R)-1-aminoethyl]-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;(1S,2R,5R,8R,9R,11S,13S,14R)-15-(4-azidobutyl)-8-[(2S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,9,11,13-pentamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,16-trione;(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-4-[(1R)-1-[[(3R,4R)-3-methoxy-3,4-dimethyl-5-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)pentylidene]amino]ethyl]-5-methyl-1,3-oxazolidin-2-one;(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-4-[(2S,4S,6R,7R)-6-methoxy-4,6,7-trimethyl-8-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)octan-2-yl]-5-methyl-1,3-oxazolidin-2-one;carbanide;(4R)-4-[(2S,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-3,3-dimethyl-5-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)pentanal

C129H225MgN20O33P — CID 167661276

IUPACmagnesium;(4R,5S)-4-[(1R)-1-aminoethyl]-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;(1S,2R,5R,8R,9R,11S,13S,14R)-15-(4-azidobutyl)-8-[(2S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,9,11,13-pentamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,16-trione;(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-4-[(1R)-1-[[(3R,4R)-3-methoxy-3,4-dimethyl-5-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)pentylidene]amino]ethyl]-5-methyl-1,3-oxazolidin-2-one;(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-4-[(2S,4S,6R,7R)-6-methoxy-4,6,7-trimethyl-8-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)octan-2-yl]-5-methyl-1,3-oxazolidin-2-one;carbanide;(4R)-4-[(2S,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-3,3-dimethyl-5-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)pentanal
SMILESCC1=C(C[C@@H](O[C@@H]2O[C@H](C)CC(N(C)C)C2P=O)C(C)(C)CC=O)OC(C)(C)OC1=O.CC[C@@H](O)[C@@]1(C)OC(=O)N(CCCCN=[N+]=[N-])[C@@H]1[C@@H](C)/N=C/C[C@@](C)(OC)[C@H](C)CC1=C(C)C(=O)OC(C)(C)O1.CC[C@@H](O)[C@@]1(C)OC(=O)N(CCCCN=[N+]=[N-])[C@@H]1[C@@H](C)C[C@H](C)C[C@@](C)(OC)[C@H](C)CC1=C(C)C(=O)OC(C)(C)O1.CC[C@@H](O)[C@@]1(C)OC(=O)N(CCCCN=[N+]=[N-])[C@@H]1[C@@H](C)N.CC[C@H]1OC(=O)[C@H](C)C(=O)C[C@@H](O[C@@H]2O[C@H](C)CC(N(C)C)C2O)[C@](C)(OC)C[C@@H](C)C[C@H](C)[C@H]2N(CCCCN=[N+]=[N-])C(=O)O[C@]12C.[CH3-].[CH3-].[Mg+2]
InChIInChI=1S/C34H59N5O9.C30H52N4O7.C28H47N5O7.C22H36NO7P.C13H25N5O3.2CH3.Mg/c1-11-26-34(7)29(39(32(43)48-34)15-13-12-14-36-37-35)21(3)16-20(2)19-33(6,44-10)27(18-25(40)23(5)30(42)46-26)47-31-28(41)24(38(8)9)17-22(4)45-31;1-11-24(35)30(9)25(34(27(37)41-30)15-13-12-14-32-33-31)20(3)16-19(2)18-29(8,38-10)21(4)17-23-22(5)26(36)40-28(6,7)39-23;1-10-22(34)28(8)23(33(25(36)40-28)16-12-11-14-31-32-29)20(4)30-15-13-27(7,37-9)18(2)17-21-19(3)24(35)39-26(5,6)38-21;1-13-11-15(23(7)8)18(31-26)20(27-13)28-17(21(3,4)9-10-24)12-16-14(2)19(25)30-22(5,6)29-16;1-4-10(19)13(3)11(9(2)14)18(12(20)21-13)8-6-5-7-16-17-15;;;/h20-24,26-29,31,41H,11-19H2,1-10H3;19-21,24-25,35H,11-18H2,1-10H3;15,18,20,22-23,34H,10-14,16-17H2,1-9H3;10,13,15,17-18,20H,9,11-12H2,1-8H3;9-11,19H,4-8,14H2,1-3H3;2*1H3;/q;;;;;2*-1;+2/b;;30-15+;;;;;/t20-,21-,22+,23+,24?,26+,27+,28?,29+,31-,33+,34+;19-,20-,21+,24+,25+,29+,30+;18-,20-,22-,23-,27-,28-;13-,15?,17-,18?,20+;9-,10-,11-,13-;;;/m00111.../s1
InChIKeyFMJVVKMSIZXXLO-TYVYWBEBSA-N
MW2639.60 g/mol
LogP22.62
Rot. Bonds58

About magnesium;(4R,5S)-4-[(1R)-1-aminoethyl]-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;(1S,2R,5R,8R,9R,11S,13S,14R)-15-(4-azidobutyl)-8-[(2S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,9,11,13-pentamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,16-trione;(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-4-[(1R)-1-[[(3R,4R)-3-methoxy-3,4-dimethyl-5-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)pentylidene]amino]ethyl]-5-methyl-1,3-oxazolidin-2-one;(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-4-[(2S,4S,6R,7R)-6-methoxy-4,6,7-trimethyl-8-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)octan-2-yl]-5-methyl-1,3-oxazolidin-2-one;carbanide;(4R)-4-[(2S,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-3,3-dimethyl-5-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)pentanal

magnesium;(4R,5S)-4-[(1R)-1-aminoethyl]-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;(1S,2R,5R,8R,9R,11S,13S,14R)-15-(4-azidobutyl)-8-[(2S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,9,11,13-pentamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,16-trione;(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-4-[(1R)-1-[[(3R,4R)-3-methoxy-3,4-dimethyl-5-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)pentylidene]amino]ethyl]-5-methyl-1,3-oxazolidin-2-one;(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-4-[(2S,4S,6R,7R)-6-methoxy-4,6,7-trimethyl-8-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)octan-2-yl]-5-methyl-1,3-oxazolidin-2-one;carbanide;(4R)-4-[(2S,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-3,3-dimethyl-5-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)pentanal (PubChem CID 167661276) has the molecular formula C129H225MgN20O33P and a molecular weight of 2639.60 g/mol. Its IUPAC name is magnesium;(4R,5S)-4-[(1R)-1-aminoethyl]-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;(1S,2R,5R,8R,9R,11S,13S,14R)-15-(4-azidobutyl)-8-[(2S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,9,11,13-pentamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,16-trione;(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-4-[(1R)-1-[[(3R,4R)-3-methoxy-3,4-dimethyl-5-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)pentylidene]amino]ethyl]-5-methyl-1,3-oxazolidin-2-one;(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-4-[(2S,4S,6R,7R)-6-methoxy-4,6,7-trimethyl-8-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)octan-2-yl]-5-methyl-1,3-oxazolidin-2-one;carbanide;(4R)-4-[(2S,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-3,3-dimethyl-5-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)pentanal.

Molecular Properties

Compound Namemagnesium;(4R,5S)-4-[(1R)-1-aminoethyl]-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;(1S,2R,5R,8R,9R,11S,13S,14R)-15-(4-azidobutyl)-8-[(2S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,9,11,13-pentamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,16-trione;(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-4-[(1R)-1-[[(3R,4R)-3-methoxy-3,4-dimethyl-5-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)pentylidene]amino]ethyl]-5-methyl-1,3-oxazolidin-2-one;(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-4-[(2S,4S,6R,7R)-6-methoxy-4,6,7-trimethyl-8-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)octan-2-yl]-5-methyl-1,3-oxazolidin-2-one;carbanide;(4R)-4-[(2S,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-3,3-dimethyl-5-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)pentanal
PubChem CID167661276
Molecular FormulaC129H225MgN20O33P
Molecular Weight2639.60 g/mol
Exact Mass2637.61
IUPAC Namemagnesium;(4R,5S)-4-[(1R)-1-aminoethyl]-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;(1S,2R,5R,8R,9R,11S,13S,14R)-15-(4-azidobutyl)-8-[(2S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,9,11,13-pentamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,16-trione;(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-4-[(1R)-1-[[(3R,4R)-3-methoxy-3,4-dimethyl-5-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)pentylidene]amino]ethyl]-5-methyl-1,3-oxazolidin-2-one;(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-4-[(2S,4S,6R,7R)-6-methoxy-4,6,7-trimethyl-8-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)octan-2-yl]-5-methyl-1,3-oxazolidin-2-one;carbanide;(4R)-4-[(2S,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-3,3-dimethyl-5-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)pentanal
SMILESCC1=C(C[C@@H](O[C@@H]2O[C@H](C)CC(N(C)C)C2P=O)C(C)(C)CC=O)OC(C)(C)OC1=O.CC[C@@H](O)[C@@]1(C)OC(=O)N(CCCCN=[N+]=[N-])[C@@H]1[C@@H](C)/N=C/C[C@@](C)(OC)[C@H](C)CC1=C(C)C(=O)OC(C)(C)O1.CC[C@@H](O)[C@@]1(C)OC(=O)N(CCCCN=[N+]=[N-])[C@@H]1[C@@H](C)C[C@H](C)C[C@@](C)(OC)[C@H](C)CC1=C(C)C(=O)OC(C)(C)O1.CC[C@@H](O)[C@@]1(C)OC(=O)N(CCCCN=[N+]=[N-])[C@@H]1[C@@H](C)N.CC[C@H]1OC(=O)[C@H](C)C(=O)C[C@@H](O[C@@H]2O[C@H](C)CC(N(C)C)C2O)[C@](C)(OC)C[C@@H](C)C[C@H](C)[C@H]2N(CCCCN=[N+]=[N-])C(=O)O[C@]12C.[CH3-].[CH3-].[Mg+2]
InChIInChI=1S/C34H59N5O9.C30H52N4O7.C28H47N5O7.C22H36NO7P.C13H25N5O3.2CH3.Mg/c1-11-26-34(7)29(39(32(43)48-34)15-13-12-14-36-37-35)21(3)16-20(2)19-33(6,44-10)27(18-25(40)23(5)30(42)46-26)47-31-28(41)24(38(8)9)17-22(4)45-31;1-11-24(35)30(9)25(34(27(37)41-30)15-13-12-14-32-33-31)20(3)16-19(2)18-29(8,38-10)21(4)17-23-22(5)26(36)40-28(6,7)39-23;1-10-22(34)28(8)23(33(25(36)40-28)16-12-11-14-31-32-29)20(4)30-15-13-27(7,37-9)18(2)17-21-19(3)24(35)39-26(5,6)38-21;1-13-11-15(23(7)8)18(31-26)20(27-13)28-17(21(3,4)9-10-24)12-16-14(2)19(25)30-22(5,6)29-16;1-4-10(19)13(3)11(9(2)14)18(12(20)21-13)8-6-5-7-16-17-15;;;/h20-24,26-29,31,41H,11-19H2,1-10H3;19-21,24-25,35H,11-18H2,1-10H3;15,18,20,22-23,34H,10-14,16-17H2,1-9H3;10,13,15,17-18,20H,9,11-12H2,1-8H3;9-11,19H,4-8,14H2,1-3H3;2*1H3;/q;;;;;2*-1;+2/b;;30-15+;;;;;/t20-,21-,22+,23+,24?,26+,27+,28?,29+,31-,33+,34+;19-,20-,21+,24+,25+,29+,30+;18-,20-,22-,23-,27-,28-;13-,15?,17-,18?,20+;9-,10-,11-,13-;;;/m00111.../s1
InChIKeyFMJVVKMSIZXXLO-TYVYWBEBSA-N
XLogP22.62
TPSA687.69 Ų
H-Bond Donors5
H-Bond Acceptors41
Rotatable Bonds58
Heavy Atoms184
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002639.60
LogP ≤ 522.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1041

Analyze magnesium;(4R,5S)-4-[(1R)-1-aminoethyl]-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;(1S,2R,5R,8R,9R,11S,13S,14R)-15-(4-azidobutyl)-8-[(2S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,9,11,13-pentamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,16-trione;(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-4-[(1R)-1-[[(3R,4R)-3-methoxy-3,4-dimethyl-5-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)pentylidene]amino]ethyl]-5-methyl-1,3-oxazolidin-2-one;(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-4-[(2S,4S,6R,7R)-6-methoxy-4,6,7-trimethyl-8-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)octan-2-yl]-5-methyl-1,3-oxazolidin-2-one;carbanide;(4R)-4-[(2S,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-3,3-dimethyl-5-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)pentanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of magnesium;(4R,5S)-4-[(1R)-1-aminoethyl]-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;(1S,2R,5R,8R,9R,11S,13S,14R)-15-(4-azidobutyl)-8-[(2S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,9,11,13-pentamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,16-trione;(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-4-[(1R)-1-[[(3R,4R)-3-methoxy-3,4-dimethyl-5-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)pentylidene]amino]ethyl]-5-methyl-1,3-oxazolidin-2-one;(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-4-[(2S,4S,6R,7R)-6-methoxy-4,6,7-trimethyl-8-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)octan-2-yl]-5-methyl-1,3-oxazolidin-2-one;carbanide;(4R)-4-[(2S,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-3,3-dimethyl-5-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)pentanal?
The IUPAC name of magnesium;(4R,5S)-4-[(1R)-1-aminoethyl]-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;(1S,2R,5R,8R,9R,11S,13S,14R)-15-(4-azidobutyl)-8-[(2S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,9,11,13-pentamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,16-trione;(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-4-[(1R)-1-[[(3R,4R)-3-methoxy-3,4-dimethyl-5-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)pentylidene]amino]ethyl]-5-methyl-1,3-oxazolidin-2-one;(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-4-[(2S,4S,6R,7R)-6-methoxy-4,6,7-trimethyl-8-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)octan-2-yl]-5-methyl-1,3-oxazolidin-2-one;carbanide;(4R)-4-[(2S,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-3,3-dimethyl-5-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)pentanal (CID 167661276) is magnesium;(4R,5S)-4-[(1R)-1-aminoethyl]-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;(1S,2R,5R,8R,9R,11S,13S,14R)-15-(4-azidobutyl)-8-[(2S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,9,11,13-pentamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,16-trione;(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-4-[(1R)-1-[[(3R,4R)-3-methoxy-3,4-dimethyl-5-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)pentylidene]amino]ethyl]-5-methyl-1,3-oxazolidin-2-one;(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-4-[(2S,4S,6R,7R)-6-methoxy-4,6,7-trimethyl-8-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)octan-2-yl]-5-methyl-1,3-oxazolidin-2-one;carbanide;(4R)-4-[(2S,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-3,3-dimethyl-5-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)pentanal.
What is the SMILES notation for magnesium;(4R,5S)-4-[(1R)-1-aminoethyl]-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;(1S,2R,5R,8R,9R,11S,13S,14R)-15-(4-azidobutyl)-8-[(2S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,9,11,13-pentamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,16-trione;(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-4-[(1R)-1-[[(3R,4R)-3-methoxy-3,4-dimethyl-5-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)pentylidene]amino]ethyl]-5-methyl-1,3-oxazolidin-2-one;(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-4-[(2S,4S,6R,7R)-6-methoxy-4,6,7-trimethyl-8-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)octan-2-yl]-5-methyl-1,3-oxazolidin-2-one;carbanide;(4R)-4-[(2S,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-3,3-dimethyl-5-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)pentanal?
The canonical SMILES for magnesium;(4R,5S)-4-[(1R)-1-aminoethyl]-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;(1S,2R,5R,8R,9R,11S,13S,14R)-15-(4-azidobutyl)-8-[(2S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,9,11,13-pentamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,16-trione;(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-4-[(1R)-1-[[(3R,4R)-3-methoxy-3,4-dimethyl-5-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)pentylidene]amino]ethyl]-5-methyl-1,3-oxazolidin-2-one;(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-4-[(2S,4S,6R,7R)-6-methoxy-4,6,7-trimethyl-8-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)octan-2-yl]-5-methyl-1,3-oxazolidin-2-one;carbanide;(4R)-4-[(2S,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-3,3-dimethyl-5-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)pentanal is CC1=C(C[C@@H](O[C@@H]2O[C@H](C)CC(N(C)C)C2P=O)C(C)(C)CC=O)OC(C)(C)OC1=O.CC[C@@H](O)[C@@]1(C)OC(=O)N(CCCCN=[N+]=[N-])[C@@H]1[C@@H](C)/N=C/C[C@@](C)(OC)[C@H](C)CC1=C(C)C(=O)OC(C)(C)O1.CC[C@@H](O)[C@@]1(C)OC(=O)N(CCCCN=[N+]=[N-])[C@@H]1[C@@H](C)C[C@H](C)C[C@@](C)(OC)[C@H](C)CC1=C(C)C(=O)OC(C)(C)O1.CC[C@@H](O)[C@@]1(C)OC(=O)N(CCCCN=[N+]=[N-])[C@@H]1[C@@H](C)N.CC[C@H]1OC(=O)[C@H](C)C(=O)C[C@@H](O[C@@H]2O[C@H](C)CC(N(C)C)C2O)[C@](C)(OC)C[C@@H](C)C[C@H](C)[C@H]2N(CCCCN=[N+]=[N-])C(=O)O[C@]12C.[CH3-].[CH3-].[Mg+2].
What is the InChIKey of magnesium;(4R,5S)-4-[(1R)-1-aminoethyl]-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;(1S,2R,5R,8R,9R,11S,13S,14R)-15-(4-azidobutyl)-8-[(2S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,9,11,13-pentamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,16-trione;(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-4-[(1R)-1-[[(3R,4R)-3-methoxy-3,4-dimethyl-5-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)pentylidene]amino]ethyl]-5-methyl-1,3-oxazolidin-2-one;(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-4-[(2S,4S,6R,7R)-6-methoxy-4,6,7-trimethyl-8-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)octan-2-yl]-5-methyl-1,3-oxazolidin-2-one;carbanide;(4R)-4-[(2S,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-3,3-dimethyl-5-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)pentanal?
The InChIKey is FMJVVKMSIZXXLO-TYVYWBEBSA-N. The full InChI is InChI=1S/C34H59N5O9.C30H52N4O7.C28H47N5O7.C22H36NO7P.C13H25N5O3.2CH3.Mg/c1-11-26-34(7)29(39(32(43)48-34)15-13-12-14-36-37-35)21(3)16-20(2)19-33(6,44-10)27(18-25(40)23(5)30(42)46-26)47-31-28(41)24(38(8)9)17-22(4)45-31;1-11-24(35)30(9)25(34(27(37)41-30)15-13-12-14-32-33-31)20(3)16-19(2)18-29(8,38-10)21(4)17-23-22(5)26(36)40-28(6,7)39-23;1-10-22(34)28(8)23(33(25(36)40-28)16-12-11-14-31-32-29)20(4)30-15-13-27(7,37-9)18(2)17-21-19(3)24(35)39-26(5,6)38-21;1-13-11-15(23(7)8)18(31-26)20(27-13)28-17(21(3,4)9-10-24)12-16-14(2)19(25)30-22(5,6)29-16;1-4-10(19)13(3)11(9(2)14)18(12(20)21-13)8-6-5-7-16-17-15;;;/h20-24,26-29,31,41H,11-19H2,1-10H3;19-21,24-25,35H,11-18H2,1-10H3;15,18,20,22-23,34H,10-14,16-17H2,1-9H3;10,13,15,17-18,20H,9,11-12H2,1-8H3;9-11,19H,4-8,14H2,1-3H3;2*1H3;/q;;;;;2*-1;+2/b;;30-15+;;;;;/t20-,21-,22+,23+,24?,26+,27+,28?,29+,31-,33+,34+;19-,20-,21+,24+,25+,29+,30+;18-,20-,22-,23-,27-,28-;13-,15?,17-,18?,20+;9-,10-,11-,13-;;;/m00111.../s1.
What are the key properties of magnesium;(4R,5S)-4-[(1R)-1-aminoethyl]-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;(1S,2R,5R,8R,9R,11S,13S,14R)-15-(4-azidobutyl)-8-[(2S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,9,11,13-pentamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,16-trione;(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-4-[(1R)-1-[[(3R,4R)-3-methoxy-3,4-dimethyl-5-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)pentylidene]amino]ethyl]-5-methyl-1,3-oxazolidin-2-one;(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-4-[(2S,4S,6R,7R)-6-methoxy-4,6,7-trimethyl-8-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)octan-2-yl]-5-methyl-1,3-oxazolidin-2-one;carbanide;(4R)-4-[(2S,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-3,3-dimethyl-5-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)pentanal?
magnesium;(4R,5S)-4-[(1R)-1-aminoethyl]-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;(1S,2R,5R,8R,9R,11S,13S,14R)-15-(4-azidobutyl)-8-[(2S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,9,11,13-pentamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,16-trione;(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-4-[(1R)-1-[[(3R,4R)-3-methoxy-3,4-dimethyl-5-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)pentylidene]amino]ethyl]-5-methyl-1,3-oxazolidin-2-one;(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-4-[(2S,4S,6R,7R)-6-methoxy-4,6,7-trimethyl-8-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)octan-2-yl]-5-methyl-1,3-oxazolidin-2-one;carbanide;(4R)-4-[(2S,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-3,3-dimethyl-5-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)pentanal has a molecular weight of 2639.60 g/mol, XLogP of 22.62, 58 rotatable bonds, 5 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;(4R,5S)-4-[(1R)-1-aminoethyl]-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-5-methyl-1,3-oxazolidin-2-one;(1S,2R,5R,8R,9R,11S,13S,14R)-15-(4-azidobutyl)-8-[(2S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,9,11,13-pentamethyl-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,16-trione;(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-4-[(1R)-1-[[(3R,4R)-3-methoxy-3,4-dimethyl-5-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)pentylidene]amino]ethyl]-5-methyl-1,3-oxazolidin-2-one;(4R,5S)-3-(4-azidobutyl)-5-[(1R)-1-hydroxypropyl]-4-[(2S,4S,6R,7R)-6-methoxy-4,6,7-trimethyl-8-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)octan-2-yl]-5-methyl-1,3-oxazolidin-2-one;carbanide;(4R)-4-[(2S,6R)-4-(dimethylamino)-6-methyl-3-phosphorosooxan-2-yl]oxy-3,3-dimethyl-5-(2,2,5-trimethyl-6-oxo-1,3-dioxin-4-yl)pentanal is sourced from PubChem (CID 167661276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).