potassium;azanide;[(3R)-5-bromo-1-[(2S,4R,7S,9R,12S,14R,16R)-4-[3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-2-[[(2R,4R)-6-butyl-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyloxolan-3-yl]-2-oxopropyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-12-yl]hex-5-en-3-yl] 4-methylbenzenesulfonate;[(3R)-5-bromo-1-[(2S,4R,7S,9R,12S,14R,16R)-4-[3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-methyl-2-[[(2R,4R)-4-methyl-3-methylidene-6-(3-oxopropyl)oxan-2-yl]methyl]oxolan-3-yl]-2-oxopropyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-12-yl]hex-5-en-3-yl] 4-methylbenzenesulfonate;1-[(2S,4R,7S,9R,12S,14R,16R)-12-[(3R)-5-bromo-3-hydroxyhex-5-enyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-4-yl]-3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-2-[[(2R,4R)-6-butyl-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyloxolan-3-yl]propan-2-one;1-[(2S,4R,7S,9R,12S,14R,16R)-12-[(3R)-5-bromo-3-hydroxyhex-5-enyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-4-yl]-3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-2-[[(2R,4R)-6-(3-hydroxypropyl)-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyloxolan-3-yl]propan-2-one

C204H324Br4KNO46S2Si4 — CID 160523290

IUPACpotassium;azanide;[(3R)-5-bromo-1-[(2S,4R,7S,9R,12S,14R,16R)-4-[3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-2-[[(2R,4R)-6-butyl-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyloxolan-3-yl]-2-oxopropyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-12-yl]hex-5-en-3-yl] 4-methylbenzenesulfonate;[(3R)-5-bromo-1-[(2S,4R,7S,9R,12S,14R,16R)-4-[3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-methyl-2-[[(2R,4R)-4-methyl-3-methylidene-6-(3-oxopropyl)oxan-2-yl]methyl]oxolan-3-yl]-2-oxopropyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-12-yl]hex-5-en-3-yl] 4-methylbenzenesulfonate;1-[(2S,4R,7S,9R,12S,14R,16R)-12-[(3R)-5-bromo-3-hydroxyhex-5-enyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-4-yl]-3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-2-[[(2R,4R)-6-butyl-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyloxolan-3-yl]propan-2-one;1-[(2S,4R,7S,9R,12S,14R,16R)-12-[(3R)-5-bromo-3-hydroxyhex-5-enyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-4-yl]-3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-2-[[(2R,4R)-6-(3-hydroxypropyl)-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyloxolan-3-yl]propan-2-one
SMILESC=C(Br)C[C@@H](CC[C@@]12C[C@H]3O[C@H]4C(O1)[C@H]1O[C@@H](CC(=O)C[C@H]5C(C[C@H]6OC(CCC=O)C[C@@H](C)C6=C)O[C@H](C[C@H](C)CO[Si](C)(C)C(C)(C)C)[C@@H]5C)CC[C@@H]1O[C@H]4C3O2)OS(=O)(=O)c1ccc(C)cc1.C=C(Br)C[C@@H](CC[C@@]12C[C@H]3O[C@H]4C(O1)[C@H]1O[C@@H](CC(=O)C[C@H]5C(C[C@H]6OC(CCCC)C[C@@H](C)C6=C)O[C@H](C[C@H](C)CO[Si](C)(C)C(C)(C)C)[C@@H]5C)CC[C@@H]1O[C@H]4C3O2)OS(=O)(=O)c1ccc(C)cc1.C=C(Br)C[C@H](O)CC[C@@]12C[C@H]3O[C@H]4C(O1)[C@H]1O[C@@H](CC(=O)C[C@H]5C(C[C@H]6OC(CCCC)C[C@@H](C)C6=C)O[C@H](C[C@H](C)CO[Si](C)(C)C(C)(C)C)[C@@H]5C)CC[C@@H]1O[C@H]4C3O2.C=C(Br)C[C@H](O)CC[C@@]12C[C@H]3O[C@H]4C(O1)[C@H]1O[C@@H](CC(=O)C[C@H]5C(C[C@H]6OC(CCCO)C[C@@H](C)C6=C)O[C@H](C[C@H](C)CO[Si](C)(C)C(C)(C)C)[C@@H]5C)CC[C@@H]1O[C@H]4C3O2.[K+].[NH2-]
InChIInChI=1S/C55H85BrO12SSi.C54H81BrO13SSi.C48H79BrO10Si.C47H77BrO11Si.K.H2N/c1-13-14-15-39-25-34(4)36(6)46(61-39)29-47-43(37(7)45(63-47)24-33(3)31-60-70(11,12)54(8,9)10)28-38(57)27-40-18-21-44-49(62-40)53-52-51(64-44)50-48(65-52)30-55(66-50,67-53)23-22-41(26-35(5)56)68-69(58,59)42-19-16-32(2)17-20-42;1-31-14-17-41(18-15-31)69(58,59)68-40(25-34(4)55)20-21-54-29-47-49(66-54)50-51(65-47)52(67-54)48-43(64-50)19-16-39(62-48)26-37(57)27-42-36(6)44(23-32(2)30-60-70(10,11)53(7,8)9)63-46(42)28-45-35(5)33(3)24-38(61-45)13-12-22-56;1-12-13-14-34-20-28(3)30(5)39(53-34)24-40-36(31(6)38(55-40)19-27(2)26-52-60(10,11)47(7,8)9)23-33(51)22-35-15-16-37-42(54-35)46-45-44(56-37)43-41(57-45)25-48(58-43,59-46)18-17-32(50)21-29(4)49;1-26(25-52-60(9,10)46(6,7)8)18-37-30(5)35(39(55-37)23-38-29(4)27(2)19-33(53-38)12-11-17-49)22-32(51)21-34-13-14-36-41(54-34)45-44-43(56-36)42-40(57-44)24-47(58-42,59-45)16-15-31(50)20-28(3)48;;/h16-17,19-20,33-34,37,39-41,43-53H,5-6,13-15,18,21-31H2,1-4,7-12H3;14-15,17-18,22,32-33,36,38-40,42-52H,4-5,12-13,16,19-21,23-30H2,1-3,6-11H3;27-28,31-32,34-46,50H,4-5,12-26H2,1-3,6-11H3;26-27,30-31,33-45,49-50H,3-4,11-25H2,1-2,5-10H3;;1H2/q;;;;+1;-1/t33-,34+,37+,39?,40+,41+,43+,44-,45+,46+,47?,48+,49-,50?,51-,52+,53?,55-;32-,33+,36+,38?,39+,40+,42+,43-,44+,45+,46?,47+,48-,49?,50-,51+,52?,54-;27-,28+,31+,32+,34?,35+,36+,37-,38+,39+,40?,41+,42-,43?,44-,45+,46?,48-;26-,27+,30+,31+,33?,34+,35+,36-,37+,38+,39?,40+,41-,42?,43-,44+,45?,47-;;/m0000../s1
InChIKeyQUOJKRORYWPNDC-FNVBCJTASA-N
MW4061.99 g/mol
LogP37.49
Rot. Bonds82

About potassium;azanide;[(3R)-5-bromo-1-[(2S,4R,7S,9R,12S,14R,16R)-4-[3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-2-[[(2R,4R)-6-butyl-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyloxolan-3-yl]-2-oxopropyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-12-yl]hex-5-en-3-yl] 4-methylbenzenesulfonate;[(3R)-5-bromo-1-[(2S,4R,7S,9R,12S,14R,16R)-4-[3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-methyl-2-[[(2R,4R)-4-methyl-3-methylidene-6-(3-oxopropyl)oxan-2-yl]methyl]oxolan-3-yl]-2-oxopropyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-12-yl]hex-5-en-3-yl] 4-methylbenzenesulfonate;1-[(2S,4R,7S,9R,12S,14R,16R)-12-[(3R)-5-bromo-3-hydroxyhex-5-enyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-4-yl]-3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-2-[[(2R,4R)-6-butyl-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyloxolan-3-yl]propan-2-one;1-[(2S,4R,7S,9R,12S,14R,16R)-12-[(3R)-5-bromo-3-hydroxyhex-5-enyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-4-yl]-3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-2-[[(2R,4R)-6-(3-hydroxypropyl)-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyloxolan-3-yl]propan-2-one

potassium;azanide;[(3R)-5-bromo-1-[(2S,4R,7S,9R,12S,14R,16R)-4-[3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-2-[[(2R,4R)-6-butyl-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyloxolan-3-yl]-2-oxopropyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-12-yl]hex-5-en-3-yl] 4-methylbenzenesulfonate;[(3R)-5-bromo-1-[(2S,4R,7S,9R,12S,14R,16R)-4-[3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-methyl-2-[[(2R,4R)-4-methyl-3-methylidene-6-(3-oxopropyl)oxan-2-yl]methyl]oxolan-3-yl]-2-oxopropyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-12-yl]hex-5-en-3-yl] 4-methylbenzenesulfonate;1-[(2S,4R,7S,9R,12S,14R,16R)-12-[(3R)-5-bromo-3-hydroxyhex-5-enyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-4-yl]-3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-2-[[(2R,4R)-6-butyl-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyloxolan-3-yl]propan-2-one;1-[(2S,4R,7S,9R,12S,14R,16R)-12-[(3R)-5-bromo-3-hydroxyhex-5-enyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-4-yl]-3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-2-[[(2R,4R)-6-(3-hydroxypropyl)-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyloxolan-3-yl]propan-2-one (PubChem CID 160523290) has the molecular formula C204H324Br4KNO46S2Si4 and a molecular weight of 4061.99 g/mol. Its IUPAC name is potassium;azanide;[(3R)-5-bromo-1-[(2S,4R,7S,9R,12S,14R,16R)-4-[3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-2-[[(2R,4R)-6-butyl-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyloxolan-3-yl]-2-oxopropyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-12-yl]hex-5-en-3-yl] 4-methylbenzenesulfonate;[(3R)-5-bromo-1-[(2S,4R,7S,9R,12S,14R,16R)-4-[3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-methyl-2-[[(2R,4R)-4-methyl-3-methylidene-6-(3-oxopropyl)oxan-2-yl]methyl]oxolan-3-yl]-2-oxopropyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-12-yl]hex-5-en-3-yl] 4-methylbenzenesulfonate;1-[(2S,4R,7S,9R,12S,14R,16R)-12-[(3R)-5-bromo-3-hydroxyhex-5-enyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-4-yl]-3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-2-[[(2R,4R)-6-butyl-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyloxolan-3-yl]propan-2-one;1-[(2S,4R,7S,9R,12S,14R,16R)-12-[(3R)-5-bromo-3-hydroxyhex-5-enyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-4-yl]-3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-2-[[(2R,4R)-6-(3-hydroxypropyl)-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyloxolan-3-yl]propan-2-one.

Molecular Properties

Compound Namepotassium;azanide;[(3R)-5-bromo-1-[(2S,4R,7S,9R,12S,14R,16R)-4-[3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-2-[[(2R,4R)-6-butyl-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyloxolan-3-yl]-2-oxopropyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-12-yl]hex-5-en-3-yl] 4-methylbenzenesulfonate;[(3R)-5-bromo-1-[(2S,4R,7S,9R,12S,14R,16R)-4-[3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-methyl-2-[[(2R,4R)-4-methyl-3-methylidene-6-(3-oxopropyl)oxan-2-yl]methyl]oxolan-3-yl]-2-oxopropyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-12-yl]hex-5-en-3-yl] 4-methylbenzenesulfonate;1-[(2S,4R,7S,9R,12S,14R,16R)-12-[(3R)-5-bromo-3-hydroxyhex-5-enyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-4-yl]-3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-2-[[(2R,4R)-6-butyl-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyloxolan-3-yl]propan-2-one;1-[(2S,4R,7S,9R,12S,14R,16R)-12-[(3R)-5-bromo-3-hydroxyhex-5-enyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-4-yl]-3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-2-[[(2R,4R)-6-(3-hydroxypropyl)-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyloxolan-3-yl]propan-2-one
PubChem CID160523290
Molecular FormulaC204H324Br4KNO46S2Si4
Molecular Weight4061.99 g/mol
Exact Mass4054.79
IUPAC Namepotassium;azanide;[(3R)-5-bromo-1-[(2S,4R,7S,9R,12S,14R,16R)-4-[3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-2-[[(2R,4R)-6-butyl-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyloxolan-3-yl]-2-oxopropyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-12-yl]hex-5-en-3-yl] 4-methylbenzenesulfonate;[(3R)-5-bromo-1-[(2S,4R,7S,9R,12S,14R,16R)-4-[3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-methyl-2-[[(2R,4R)-4-methyl-3-methylidene-6-(3-oxopropyl)oxan-2-yl]methyl]oxolan-3-yl]-2-oxopropyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-12-yl]hex-5-en-3-yl] 4-methylbenzenesulfonate;1-[(2S,4R,7S,9R,12S,14R,16R)-12-[(3R)-5-bromo-3-hydroxyhex-5-enyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-4-yl]-3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-2-[[(2R,4R)-6-butyl-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyloxolan-3-yl]propan-2-one;1-[(2S,4R,7S,9R,12S,14R,16R)-12-[(3R)-5-bromo-3-hydroxyhex-5-enyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-4-yl]-3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-2-[[(2R,4R)-6-(3-hydroxypropyl)-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyloxolan-3-yl]propan-2-one
SMILESC=C(Br)C[C@@H](CC[C@@]12C[C@H]3O[C@H]4C(O1)[C@H]1O[C@@H](CC(=O)C[C@H]5C(C[C@H]6OC(CCC=O)C[C@@H](C)C6=C)O[C@H](C[C@H](C)CO[Si](C)(C)C(C)(C)C)[C@@H]5C)CC[C@@H]1O[C@H]4C3O2)OS(=O)(=O)c1ccc(C)cc1.C=C(Br)C[C@@H](CC[C@@]12C[C@H]3O[C@H]4C(O1)[C@H]1O[C@@H](CC(=O)C[C@H]5C(C[C@H]6OC(CCCC)C[C@@H](C)C6=C)O[C@H](C[C@H](C)CO[Si](C)(C)C(C)(C)C)[C@@H]5C)CC[C@@H]1O[C@H]4C3O2)OS(=O)(=O)c1ccc(C)cc1.C=C(Br)C[C@H](O)CC[C@@]12C[C@H]3O[C@H]4C(O1)[C@H]1O[C@@H](CC(=O)C[C@H]5C(C[C@H]6OC(CCCC)C[C@@H](C)C6=C)O[C@H](C[C@H](C)CO[Si](C)(C)C(C)(C)C)[C@@H]5C)CC[C@@H]1O[C@H]4C3O2.C=C(Br)C[C@H](O)CC[C@@]12C[C@H]3O[C@H]4C(O1)[C@H]1O[C@@H](CC(=O)C[C@H]5C(C[C@H]6OC(CCCO)C[C@@H](C)C6=C)O[C@H](C[C@H](C)CO[Si](C)(C)C(C)(C)C)[C@@H]5C)CC[C@@H]1O[C@H]4C3O2.[K+].[NH2-]
InChIInChI=1S/C55H85BrO12SSi.C54H81BrO13SSi.C48H79BrO10Si.C47H77BrO11Si.K.H2N/c1-13-14-15-39-25-34(4)36(6)46(61-39)29-47-43(37(7)45(63-47)24-33(3)31-60-70(11,12)54(8,9)10)28-38(57)27-40-18-21-44-49(62-40)53-52-51(64-44)50-48(65-52)30-55(66-50,67-53)23-22-41(26-35(5)56)68-69(58,59)42-19-16-32(2)17-20-42;1-31-14-17-41(18-15-31)69(58,59)68-40(25-34(4)55)20-21-54-29-47-49(66-54)50-51(65-47)52(67-54)48-43(64-50)19-16-39(62-48)26-37(57)27-42-36(6)44(23-32(2)30-60-70(10,11)53(7,8)9)63-46(42)28-45-35(5)33(3)24-38(61-45)13-12-22-56;1-12-13-14-34-20-28(3)30(5)39(53-34)24-40-36(31(6)38(55-40)19-27(2)26-52-60(10,11)47(7,8)9)23-33(51)22-35-15-16-37-42(54-35)46-45-44(56-37)43-41(57-45)25-48(58-43,59-46)18-17-32(50)21-29(4)49;1-26(25-52-60(9,10)46(6,7)8)18-37-30(5)35(39(55-37)23-38-29(4)27(2)19-33(53-38)12-11-17-49)22-32(51)21-34-13-14-36-41(54-34)45-44-43(56-36)42-40(57-44)24-47(58-42,59-45)16-15-31(50)20-28(3)48;;/h16-17,19-20,33-34,37,39-41,43-53H,5-6,13-15,18,21-31H2,1-4,7-12H3;14-15,17-18,22,32-33,36,38-40,42-52H,4-5,12-13,16,19-21,23-30H2,1-3,6-11H3;27-28,31-32,34-46,50H,4-5,12-26H2,1-3,6-11H3;26-27,30-31,33-45,49-50H,3-4,11-25H2,1-2,5-10H3;;1H2/q;;;;+1;-1/t33-,34+,37+,39?,40+,41+,43+,44-,45+,46+,47?,48+,49-,50?,51-,52+,53?,55-;32-,33+,36+,38?,39+,40+,42+,43-,44+,45+,46?,47+,48-,49?,50-,51+,52?,54-;27-,28+,31+,32+,34?,35+,36+,37-,38+,39+,40?,41+,42-,43?,44-,45+,46?,48-;26-,27+,30+,31+,33?,34+,35+,36-,37+,38+,39?,40+,41-,42?,43-,44+,45?,47-;;/m0000../s1
InChIKeyQUOJKRORYWPNDC-FNVBCJTASA-N
XLogP37.49
TPSA561.64 Ų
H-Bond Donors3
H-Bond Acceptors46
Rotatable Bonds82
Heavy Atoms262
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004061.99
LogP ≤ 537.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1046

Analyze potassium;azanide;[(3R)-5-bromo-1-[(2S,4R,7S,9R,12S,14R,16R)-4-[3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-2-[[(2R,4R)-6-butyl-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyloxolan-3-yl]-2-oxopropyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-12-yl]hex-5-en-3-yl] 4-methylbenzenesulfonate;[(3R)-5-bromo-1-[(2S,4R,7S,9R,12S,14R,16R)-4-[3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-methyl-2-[[(2R,4R)-4-methyl-3-methylidene-6-(3-oxopropyl)oxan-2-yl]methyl]oxolan-3-yl]-2-oxopropyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-12-yl]hex-5-en-3-yl] 4-methylbenzenesulfonate;1-[(2S,4R,7S,9R,12S,14R,16R)-12-[(3R)-5-bromo-3-hydroxyhex-5-enyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-4-yl]-3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-2-[[(2R,4R)-6-butyl-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyloxolan-3-yl]propan-2-one;1-[(2S,4R,7S,9R,12S,14R,16R)-12-[(3R)-5-bromo-3-hydroxyhex-5-enyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-4-yl]-3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-2-[[(2R,4R)-6-(3-hydroxypropyl)-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyloxolan-3-yl]propan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of potassium;azanide;[(3R)-5-bromo-1-[(2S,4R,7S,9R,12S,14R,16R)-4-[3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-2-[[(2R,4R)-6-butyl-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyloxolan-3-yl]-2-oxopropyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-12-yl]hex-5-en-3-yl] 4-methylbenzenesulfonate;[(3R)-5-bromo-1-[(2S,4R,7S,9R,12S,14R,16R)-4-[3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-methyl-2-[[(2R,4R)-4-methyl-3-methylidene-6-(3-oxopropyl)oxan-2-yl]methyl]oxolan-3-yl]-2-oxopropyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-12-yl]hex-5-en-3-yl] 4-methylbenzenesulfonate;1-[(2S,4R,7S,9R,12S,14R,16R)-12-[(3R)-5-bromo-3-hydroxyhex-5-enyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-4-yl]-3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-2-[[(2R,4R)-6-butyl-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyloxolan-3-yl]propan-2-one;1-[(2S,4R,7S,9R,12S,14R,16R)-12-[(3R)-5-bromo-3-hydroxyhex-5-enyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-4-yl]-3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-2-[[(2R,4R)-6-(3-hydroxypropyl)-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyloxolan-3-yl]propan-2-one?
The IUPAC name of potassium;azanide;[(3R)-5-bromo-1-[(2S,4R,7S,9R,12S,14R,16R)-4-[3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-2-[[(2R,4R)-6-butyl-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyloxolan-3-yl]-2-oxopropyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-12-yl]hex-5-en-3-yl] 4-methylbenzenesulfonate;[(3R)-5-bromo-1-[(2S,4R,7S,9R,12S,14R,16R)-4-[3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-methyl-2-[[(2R,4R)-4-methyl-3-methylidene-6-(3-oxopropyl)oxan-2-yl]methyl]oxolan-3-yl]-2-oxopropyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-12-yl]hex-5-en-3-yl] 4-methylbenzenesulfonate;1-[(2S,4R,7S,9R,12S,14R,16R)-12-[(3R)-5-bromo-3-hydroxyhex-5-enyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-4-yl]-3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-2-[[(2R,4R)-6-butyl-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyloxolan-3-yl]propan-2-one;1-[(2S,4R,7S,9R,12S,14R,16R)-12-[(3R)-5-bromo-3-hydroxyhex-5-enyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-4-yl]-3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-2-[[(2R,4R)-6-(3-hydroxypropyl)-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyloxolan-3-yl]propan-2-one (CID 160523290) is potassium;azanide;[(3R)-5-bromo-1-[(2S,4R,7S,9R,12S,14R,16R)-4-[3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-2-[[(2R,4R)-6-butyl-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyloxolan-3-yl]-2-oxopropyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-12-yl]hex-5-en-3-yl] 4-methylbenzenesulfonate;[(3R)-5-bromo-1-[(2S,4R,7S,9R,12S,14R,16R)-4-[3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-methyl-2-[[(2R,4R)-4-methyl-3-methylidene-6-(3-oxopropyl)oxan-2-yl]methyl]oxolan-3-yl]-2-oxopropyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-12-yl]hex-5-en-3-yl] 4-methylbenzenesulfonate;1-[(2S,4R,7S,9R,12S,14R,16R)-12-[(3R)-5-bromo-3-hydroxyhex-5-enyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-4-yl]-3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-2-[[(2R,4R)-6-butyl-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyloxolan-3-yl]propan-2-one;1-[(2S,4R,7S,9R,12S,14R,16R)-12-[(3R)-5-bromo-3-hydroxyhex-5-enyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-4-yl]-3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-2-[[(2R,4R)-6-(3-hydroxypropyl)-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyloxolan-3-yl]propan-2-one.
What is the SMILES notation for potassium;azanide;[(3R)-5-bromo-1-[(2S,4R,7S,9R,12S,14R,16R)-4-[3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-2-[[(2R,4R)-6-butyl-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyloxolan-3-yl]-2-oxopropyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-12-yl]hex-5-en-3-yl] 4-methylbenzenesulfonate;[(3R)-5-bromo-1-[(2S,4R,7S,9R,12S,14R,16R)-4-[3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-methyl-2-[[(2R,4R)-4-methyl-3-methylidene-6-(3-oxopropyl)oxan-2-yl]methyl]oxolan-3-yl]-2-oxopropyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-12-yl]hex-5-en-3-yl] 4-methylbenzenesulfonate;1-[(2S,4R,7S,9R,12S,14R,16R)-12-[(3R)-5-bromo-3-hydroxyhex-5-enyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-4-yl]-3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-2-[[(2R,4R)-6-butyl-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyloxolan-3-yl]propan-2-one;1-[(2S,4R,7S,9R,12S,14R,16R)-12-[(3R)-5-bromo-3-hydroxyhex-5-enyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-4-yl]-3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-2-[[(2R,4R)-6-(3-hydroxypropyl)-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyloxolan-3-yl]propan-2-one?
The canonical SMILES for potassium;azanide;[(3R)-5-bromo-1-[(2S,4R,7S,9R,12S,14R,16R)-4-[3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-2-[[(2R,4R)-6-butyl-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyloxolan-3-yl]-2-oxopropyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-12-yl]hex-5-en-3-yl] 4-methylbenzenesulfonate;[(3R)-5-bromo-1-[(2S,4R,7S,9R,12S,14R,16R)-4-[3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-methyl-2-[[(2R,4R)-4-methyl-3-methylidene-6-(3-oxopropyl)oxan-2-yl]methyl]oxolan-3-yl]-2-oxopropyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-12-yl]hex-5-en-3-yl] 4-methylbenzenesulfonate;1-[(2S,4R,7S,9R,12S,14R,16R)-12-[(3R)-5-bromo-3-hydroxyhex-5-enyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-4-yl]-3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-2-[[(2R,4R)-6-butyl-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyloxolan-3-yl]propan-2-one;1-[(2S,4R,7S,9R,12S,14R,16R)-12-[(3R)-5-bromo-3-hydroxyhex-5-enyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-4-yl]-3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-2-[[(2R,4R)-6-(3-hydroxypropyl)-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyloxolan-3-yl]propan-2-one is C=C(Br)C[C@@H](CC[C@@]12C[C@H]3O[C@H]4C(O1)[C@H]1O[C@@H](CC(=O)C[C@H]5C(C[C@H]6OC(CCC=O)C[C@@H](C)C6=C)O[C@H](C[C@H](C)CO[Si](C)(C)C(C)(C)C)[C@@H]5C)CC[C@@H]1O[C@H]4C3O2)OS(=O)(=O)c1ccc(C)cc1.C=C(Br)C[C@@H](CC[C@@]12C[C@H]3O[C@H]4C(O1)[C@H]1O[C@@H](CC(=O)C[C@H]5C(C[C@H]6OC(CCCC)C[C@@H](C)C6=C)O[C@H](C[C@H](C)CO[Si](C)(C)C(C)(C)C)[C@@H]5C)CC[C@@H]1O[C@H]4C3O2)OS(=O)(=O)c1ccc(C)cc1.C=C(Br)C[C@H](O)CC[C@@]12C[C@H]3O[C@H]4C(O1)[C@H]1O[C@@H](CC(=O)C[C@H]5C(C[C@H]6OC(CCCC)C[C@@H](C)C6=C)O[C@H](C[C@H](C)CO[Si](C)(C)C(C)(C)C)[C@@H]5C)CC[C@@H]1O[C@H]4C3O2.C=C(Br)C[C@H](O)CC[C@@]12C[C@H]3O[C@H]4C(O1)[C@H]1O[C@@H](CC(=O)C[C@H]5C(C[C@H]6OC(CCCO)C[C@@H](C)C6=C)O[C@H](C[C@H](C)CO[Si](C)(C)C(C)(C)C)[C@@H]5C)CC[C@@H]1O[C@H]4C3O2.[K+].[NH2-].
What is the InChIKey of potassium;azanide;[(3R)-5-bromo-1-[(2S,4R,7S,9R,12S,14R,16R)-4-[3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-2-[[(2R,4R)-6-butyl-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyloxolan-3-yl]-2-oxopropyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-12-yl]hex-5-en-3-yl] 4-methylbenzenesulfonate;[(3R)-5-bromo-1-[(2S,4R,7S,9R,12S,14R,16R)-4-[3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-methyl-2-[[(2R,4R)-4-methyl-3-methylidene-6-(3-oxopropyl)oxan-2-yl]methyl]oxolan-3-yl]-2-oxopropyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-12-yl]hex-5-en-3-yl] 4-methylbenzenesulfonate;1-[(2S,4R,7S,9R,12S,14R,16R)-12-[(3R)-5-bromo-3-hydroxyhex-5-enyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-4-yl]-3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-2-[[(2R,4R)-6-butyl-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyloxolan-3-yl]propan-2-one;1-[(2S,4R,7S,9R,12S,14R,16R)-12-[(3R)-5-bromo-3-hydroxyhex-5-enyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-4-yl]-3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-2-[[(2R,4R)-6-(3-hydroxypropyl)-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyloxolan-3-yl]propan-2-one?
The InChIKey is QUOJKRORYWPNDC-FNVBCJTASA-N. The full InChI is InChI=1S/C55H85BrO12SSi.C54H81BrO13SSi.C48H79BrO10Si.C47H77BrO11Si.K.H2N/c1-13-14-15-39-25-34(4)36(6)46(61-39)29-47-43(37(7)45(63-47)24-33(3)31-60-70(11,12)54(8,9)10)28-38(57)27-40-18-21-44-49(62-40)53-52-51(64-44)50-48(65-52)30-55(66-50,67-53)23-22-41(26-35(5)56)68-69(58,59)42-19-16-32(2)17-20-42;1-31-14-17-41(18-15-31)69(58,59)68-40(25-34(4)55)20-21-54-29-47-49(66-54)50-51(65-47)52(67-54)48-43(64-50)19-16-39(62-48)26-37(57)27-42-36(6)44(23-32(2)30-60-70(10,11)53(7,8)9)63-46(42)28-45-35(5)33(3)24-38(61-45)13-12-22-56;1-12-13-14-34-20-28(3)30(5)39(53-34)24-40-36(31(6)38(55-40)19-27(2)26-52-60(10,11)47(7,8)9)23-33(51)22-35-15-16-37-42(54-35)46-45-44(56-37)43-41(57-45)25-48(58-43,59-46)18-17-32(50)21-29(4)49;1-26(25-52-60(9,10)46(6,7)8)18-37-30(5)35(39(55-37)23-38-29(4)27(2)19-33(53-38)12-11-17-49)22-32(51)21-34-13-14-36-41(54-34)45-44-43(56-36)42-40(57-44)24-47(58-42,59-45)16-15-31(50)20-28(3)48;;/h16-17,19-20,33-34,37,39-41,43-53H,5-6,13-15,18,21-31H2,1-4,7-12H3;14-15,17-18,22,32-33,36,38-40,42-52H,4-5,12-13,16,19-21,23-30H2,1-3,6-11H3;27-28,31-32,34-46,50H,4-5,12-26H2,1-3,6-11H3;26-27,30-31,33-45,49-50H,3-4,11-25H2,1-2,5-10H3;;1H2/q;;;;+1;-1/t33-,34+,37+,39?,40+,41+,43+,44-,45+,46+,47?,48+,49-,50?,51-,52+,53?,55-;32-,33+,36+,38?,39+,40+,42+,43-,44+,45+,46?,47+,48-,49?,50-,51+,52?,54-;27-,28+,31+,32+,34?,35+,36+,37-,38+,39+,40?,41+,42-,43?,44-,45+,46?,48-;26-,27+,30+,31+,33?,34+,35+,36-,37+,38+,39?,40+,41-,42?,43-,44+,45?,47-;;/m0000../s1.
What are the key properties of potassium;azanide;[(3R)-5-bromo-1-[(2S,4R,7S,9R,12S,14R,16R)-4-[3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-2-[[(2R,4R)-6-butyl-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyloxolan-3-yl]-2-oxopropyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-12-yl]hex-5-en-3-yl] 4-methylbenzenesulfonate;[(3R)-5-bromo-1-[(2S,4R,7S,9R,12S,14R,16R)-4-[3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-methyl-2-[[(2R,4R)-4-methyl-3-methylidene-6-(3-oxopropyl)oxan-2-yl]methyl]oxolan-3-yl]-2-oxopropyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-12-yl]hex-5-en-3-yl] 4-methylbenzenesulfonate;1-[(2S,4R,7S,9R,12S,14R,16R)-12-[(3R)-5-bromo-3-hydroxyhex-5-enyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-4-yl]-3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-2-[[(2R,4R)-6-butyl-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyloxolan-3-yl]propan-2-one;1-[(2S,4R,7S,9R,12S,14R,16R)-12-[(3R)-5-bromo-3-hydroxyhex-5-enyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-4-yl]-3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-2-[[(2R,4R)-6-(3-hydroxypropyl)-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyloxolan-3-yl]propan-2-one?
potassium;azanide;[(3R)-5-bromo-1-[(2S,4R,7S,9R,12S,14R,16R)-4-[3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-2-[[(2R,4R)-6-butyl-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyloxolan-3-yl]-2-oxopropyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-12-yl]hex-5-en-3-yl] 4-methylbenzenesulfonate;[(3R)-5-bromo-1-[(2S,4R,7S,9R,12S,14R,16R)-4-[3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-methyl-2-[[(2R,4R)-4-methyl-3-methylidene-6-(3-oxopropyl)oxan-2-yl]methyl]oxolan-3-yl]-2-oxopropyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-12-yl]hex-5-en-3-yl] 4-methylbenzenesulfonate;1-[(2S,4R,7S,9R,12S,14R,16R)-12-[(3R)-5-bromo-3-hydroxyhex-5-enyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-4-yl]-3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-2-[[(2R,4R)-6-butyl-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyloxolan-3-yl]propan-2-one;1-[(2S,4R,7S,9R,12S,14R,16R)-12-[(3R)-5-bromo-3-hydroxyhex-5-enyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-4-yl]-3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-2-[[(2R,4R)-6-(3-hydroxypropyl)-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyloxolan-3-yl]propan-2-one has a molecular weight of 4061.99 g/mol, XLogP of 37.49, 82 rotatable bonds, 3 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;azanide;[(3R)-5-bromo-1-[(2S,4R,7S,9R,12S,14R,16R)-4-[3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-2-[[(2R,4R)-6-butyl-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyloxolan-3-yl]-2-oxopropyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-12-yl]hex-5-en-3-yl] 4-methylbenzenesulfonate;[(3R)-5-bromo-1-[(2S,4R,7S,9R,12S,14R,16R)-4-[3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-4-methyl-2-[[(2R,4R)-4-methyl-3-methylidene-6-(3-oxopropyl)oxan-2-yl]methyl]oxolan-3-yl]-2-oxopropyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-12-yl]hex-5-en-3-yl] 4-methylbenzenesulfonate;1-[(2S,4R,7S,9R,12S,14R,16R)-12-[(3R)-5-bromo-3-hydroxyhex-5-enyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-4-yl]-3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-2-[[(2R,4R)-6-butyl-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyloxolan-3-yl]propan-2-one;1-[(2S,4R,7S,9R,12S,14R,16R)-12-[(3R)-5-bromo-3-hydroxyhex-5-enyl]-3,8,11,15,17-pentaoxapentacyclo[10.4.1.02,7.09,16.010,14]heptadecan-4-yl]-3-[(3R,4R,5R)-5-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]-2-[[(2R,4R)-6-(3-hydroxypropyl)-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methyloxolan-3-yl]propan-2-one is sourced from PubChem (CID 160523290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).