(2R,3S,4R,5R)-5-(7-amino-5-chloroimidazo[4,5-b]pyridin-3-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-3-ol;2-[[(2R,3R,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]propanedioic acid;tert-butyl N-[3-[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]-5-chloroimidazo[4,5-b]pyridin-7-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-4-methyloxolan-2-yl]-5-chloroimidazo[4,5-b]pyridin-7-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;carbon dioxide;ethyl 2-[[(2S,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-diazobutanoate

C156H209Cl5N24O38Si4 — CID 159446151

IUPAC(2R,3S,4R,5R)-5-(7-amino-5-chloroimidazo[4,5-b]pyridin-3-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-3-ol;2-[[(2R,3R,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]propanedioic acid;tert-butyl N-[3-[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]-5-chloroimidazo[4,5-b]pyridin-7-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-4-methyloxolan-2-yl]-5-chloroimidazo[4,5-b]pyridin-7-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;carbon dioxide;ethyl 2-[[(2S,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-diazobutanoate
SMILESCCOC(=O)C(CC)=[N+]=[N-].CCOC(=O)C(OC[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C)C(C)=O.COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc(Cl)nc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2C)(c2ccccc2)c2ccccc2)cc1.COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(N)cc(Cl)nc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)(c2ccccc2)c2ccccc2)cc1.C[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](n2cnc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc(Cl)nc32)O[C@@H]1CO.Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COC(C(=O)O)C(=O)O)[C@H](O)[C@H]1O.O=C=O
InChIInChI=1S/C48H61ClN4O8Si.C37H43ClN4O5Si.C28H45ClN4O7Si.C23H36ClN5O6Si.C13H14ClN5O8.C6H10N2O2.CO2/c1-31-37(29-57-48(32-20-16-14-17-21-32,33-22-18-15-19-23-33)34-24-26-35(56-11)27-25-34)58-42(40(31)61-62(12,13)47(8,9)10)52-30-50-39-36(28-38(49)51-41(39)52)53(43(54)59-45(2,3)4)44(55)60-46(5,6)7;1-36(2,3)48(5,6)47-33-32(43)29(46-35(33)42-23-40-31-28(39)21-30(38)41-34(31)42)22-45-37(24-13-9-7-10-14-24,25-15-11-8-12-16-25)26-17-19-27(44-4)20-18-26;1-16-18(14-34)37-23(21(16)40-41(11,12)28(8,9)10)32-15-30-20-17(13-19(29)31-22(20)32)33(24(35)38-26(2,3)4)25(36)39-27(5,6)7;1-9-32-21(31)17(13(3)30)33-10-14-12(2)16(35-36(7,8)23(4,5)6)20(34-14)29-11-26-15-18(25)27-22(24)28-19(15)29;14-13-17-8(15)4-9(18-13)19(2-16-4)10-6(21)5(20)3(27-10)1-26-7(11(22)23)12(24)25;1-3-5(8-7)6(9)10-4-2;2-1-3/h14-28,30-31,37,40,42H,29H2,1-13H3;7-21,23,29,32-33,35,43H,22H2,1-6H3,(H2,39,41);13,15-16,18,21,23,34H,14H2,1-12H3;11-12,14,16-17,20H,9-10H2,1-8H3,(H2,25,27,28);2-3,5-7,10,20-21H,1H2,(H,22,23)(H,24,25)(H2,15,17,18);3-4H2,1-2H3;/t31-,37+,40+,42+;29-,32+,33-,35-;16-,18+,21+,23+;12-,14+,16+,17?,20+;3-,5+,6-,10-;;/m01001../s1
InChIKeyLSUCQHSXXBOHEI-DAXJFAAVSA-N
MW3318.13 g/mol
LogP27.52
Rot. Bonds44

About (2R,3S,4R,5R)-5-(7-amino-5-chloroimidazo[4,5-b]pyridin-3-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-3-ol;2-[[(2R,3R,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]propanedioic acid;tert-butyl N-[3-[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]-5-chloroimidazo[4,5-b]pyridin-7-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-4-methyloxolan-2-yl]-5-chloroimidazo[4,5-b]pyridin-7-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;carbon dioxide;ethyl 2-[[(2S,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-diazobutanoate

(2R,3S,4R,5R)-5-(7-amino-5-chloroimidazo[4,5-b]pyridin-3-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-3-ol;2-[[(2R,3R,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]propanedioic acid;tert-butyl N-[3-[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]-5-chloroimidazo[4,5-b]pyridin-7-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-4-methyloxolan-2-yl]-5-chloroimidazo[4,5-b]pyridin-7-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;carbon dioxide;ethyl 2-[[(2S,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-diazobutanoate (PubChem CID 159446151) has the molecular formula C156H209Cl5N24O38Si4 and a molecular weight of 3318.13 g/mol. Its IUPAC name is (2R,3S,4R,5R)-5-(7-amino-5-chloroimidazo[4,5-b]pyridin-3-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-3-ol;2-[[(2R,3R,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]propanedioic acid;tert-butyl N-[3-[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]-5-chloroimidazo[4,5-b]pyridin-7-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-4-methyloxolan-2-yl]-5-chloroimidazo[4,5-b]pyridin-7-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;carbon dioxide;ethyl 2-[[(2S,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-diazobutanoate.

Molecular Properties

Compound Name(2R,3S,4R,5R)-5-(7-amino-5-chloroimidazo[4,5-b]pyridin-3-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-3-ol;2-[[(2R,3R,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]propanedioic acid;tert-butyl N-[3-[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]-5-chloroimidazo[4,5-b]pyridin-7-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-4-methyloxolan-2-yl]-5-chloroimidazo[4,5-b]pyridin-7-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;carbon dioxide;ethyl 2-[[(2S,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-diazobutanoate
PubChem CID159446151
Molecular FormulaC156H209Cl5N24O38Si4
Molecular Weight3318.13 g/mol
Exact Mass3313.27
IUPAC Name(2R,3S,4R,5R)-5-(7-amino-5-chloroimidazo[4,5-b]pyridin-3-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-3-ol;2-[[(2R,3R,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]propanedioic acid;tert-butyl N-[3-[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]-5-chloroimidazo[4,5-b]pyridin-7-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-4-methyloxolan-2-yl]-5-chloroimidazo[4,5-b]pyridin-7-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;carbon dioxide;ethyl 2-[[(2S,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-diazobutanoate
SMILESCCOC(=O)C(CC)=[N+]=[N-].CCOC(=O)C(OC[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C)C(C)=O.COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc(Cl)nc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2C)(c2ccccc2)c2ccccc2)cc1.COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(N)cc(Cl)nc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)(c2ccccc2)c2ccccc2)cc1.C[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](n2cnc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc(Cl)nc32)O[C@@H]1CO.Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COC(C(=O)O)C(=O)O)[C@H](O)[C@H]1O.O=C=O
InChIInChI=1S/C48H61ClN4O8Si.C37H43ClN4O5Si.C28H45ClN4O7Si.C23H36ClN5O6Si.C13H14ClN5O8.C6H10N2O2.CO2/c1-31-37(29-57-48(32-20-16-14-17-21-32,33-22-18-15-19-23-33)34-24-26-35(56-11)27-25-34)58-42(40(31)61-62(12,13)47(8,9)10)52-30-50-39-36(28-38(49)51-41(39)52)53(43(54)59-45(2,3)4)44(55)60-46(5,6)7;1-36(2,3)48(5,6)47-33-32(43)29(46-35(33)42-23-40-31-28(39)21-30(38)41-34(31)42)22-45-37(24-13-9-7-10-14-24,25-15-11-8-12-16-25)26-17-19-27(44-4)20-18-26;1-16-18(14-34)37-23(21(16)40-41(11,12)28(8,9)10)32-15-30-20-17(13-19(29)31-22(20)32)33(24(35)38-26(2,3)4)25(36)39-27(5,6)7;1-9-32-21(31)17(13(3)30)33-10-14-12(2)16(35-36(7,8)23(4,5)6)20(34-14)29-11-26-15-18(25)27-22(24)28-19(15)29;14-13-17-8(15)4-9(18-13)19(2-16-4)10-6(21)5(20)3(27-10)1-26-7(11(22)23)12(24)25;1-3-5(8-7)6(9)10-4-2;2-1-3/h14-28,30-31,37,40,42H,29H2,1-13H3;7-21,23,29,32-33,35,43H,22H2,1-6H3,(H2,39,41);13,15-16,18,21,23,34H,14H2,1-12H3;11-12,14,16-17,20H,9-10H2,1-8H3,(H2,25,27,28);2-3,5-7,10,20-21H,1H2,(H,22,23)(H,24,25)(H2,15,17,18);3-4H2,1-2H3;/t31-,37+,40+,42+;29-,32+,33-,35-;16-,18+,21+,23+;12-,14+,16+,17?,20+;3-,5+,6-,10-;;/m01001../s1
InChIKeyLSUCQHSXXBOHEI-DAXJFAAVSA-N
XLogP27.52
TPSA803.25 Ų
H-Bond Donors9
H-Bond Acceptors56
Rotatable Bonds44
Heavy Atoms227
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003318.13
LogP ≤ 527.52
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1056

Analyze (2R,3S,4R,5R)-5-(7-amino-5-chloroimidazo[4,5-b]pyridin-3-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-3-ol;2-[[(2R,3R,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]propanedioic acid;tert-butyl N-[3-[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]-5-chloroimidazo[4,5-b]pyridin-7-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-4-methyloxolan-2-yl]-5-chloroimidazo[4,5-b]pyridin-7-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;carbon dioxide;ethyl 2-[[(2S,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-diazobutanoate with MolForge

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Related Compounds

9-[(2R,3R,4R,5S)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-2-chloropurin-6-amine
CID 140850992
tert-butyl N-[9-[(2R,3S,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-2-chloropurin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 140883794
(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-ethyloxolan-3-ol;(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol;2-[[(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy]propanedioic acid;tert-butyl N-[2-chloro-9-[(2R,4S,5R)-5-ethyl-4-methyloxolan-2-yl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-chloro-9-[(2R,4S,5S)-5-(hydroxymethyl)-4-methyloxolan-2-yl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;ethyl 2-[[(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-[[(2S,3S,5R)-5-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-3-methyloxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-diazo-3-oxobutanoate
CID 159748510
[(2S,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-3-yl] 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 118074001
N-[9-[(3S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
CID 171699315
N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy](113C)methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy(2,3,4,5-13C4)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropan(15N)amide
CID 135470486
2-[[(2S,3R,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3-ethynyl-4-hydroxyoxolan-2-yl]methoxy]-2-benzylpropanedioic acid;[(2R,3R,4S,5S)-2-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-4-ethynyl-5-(hydroxymethyl)oxolan-3-yl] tert-butyl carbonate;bromomethylbenzene;ethyl 2-[[(2S,3R,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3-ethynyl-4-hydroxyoxolan-2-yl]methoxy]-2-benzyl-3-oxobutanoate;ethyl 2-benzyl-2-[[(2S,3S,4R,5R)-5-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-3-ethynyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]oxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-[[(2S,3S,4R,5R)-5-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-3-ethynyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]oxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-diazo-3-oxobutanoate
CID 161389122
2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[6-(methylamino)purin-9-yl]oxolan-3-ol
CID 155898713
ethyl 2-[[(2S,3R,4S,5R)-5-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-4-fluoro-3-methyloxolan-2-yl]methoxy]-3-oxobutanoate
CID 134338148
ethyl 2-[[(2R,3R,4S,5R)-5-(6-amino-2-chloropurin-9-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy]-3-oxobutanoate
CID 134338175
4-[2-[[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-3-ethoxy-3-oxo-2-(2H-tetrazol-5-yl)propyl]benzoic acid;[(2R,3R,4R,5S)-2-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-5-[(1-cyano-2-oxopropoxy)methyl]-4-methyloxolan-3-yl] tert-butyl carbonate;[(2R,3R,4R,5S)-2-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-5-(hydroxymethyl)-4-methyloxolan-3-yl] tert-butyl carbonate;2-diazo-3-oxobutanenitrile;methyl 4-[2-[[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-3-ethoxy-3-oxo-2-(2H-tetrazol-5-yl)propyl]benzoate;methyl 4-[2-[[(2S,3R,4R,5R)-5-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-chloropurin-9-yl]-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]oxolan-2-yl]methoxy]-3-ethoxy-3-oxo-2-(2H-tetrazol-5-yl)propyl]benzoate;methyl 4-(bromomethyl)benzoate
CID 161110049
(2R,3R,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyloxolan-3-ol
CID 167580905

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-5-(7-amino-5-chloroimidazo[4,5-b]pyridin-3-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-3-ol;2-[[(2R,3R,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]propanedioic acid;tert-butyl N-[3-[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]-5-chloroimidazo[4,5-b]pyridin-7-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-4-methyloxolan-2-yl]-5-chloroimidazo[4,5-b]pyridin-7-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;carbon dioxide;ethyl 2-[[(2S,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-diazobutanoate?
The IUPAC name of (2R,3S,4R,5R)-5-(7-amino-5-chloroimidazo[4,5-b]pyridin-3-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-3-ol;2-[[(2R,3R,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]propanedioic acid;tert-butyl N-[3-[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]-5-chloroimidazo[4,5-b]pyridin-7-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-4-methyloxolan-2-yl]-5-chloroimidazo[4,5-b]pyridin-7-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;carbon dioxide;ethyl 2-[[(2S,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-diazobutanoate (CID 159446151) is (2R,3S,4R,5R)-5-(7-amino-5-chloroimidazo[4,5-b]pyridin-3-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-3-ol;2-[[(2R,3R,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]propanedioic acid;tert-butyl N-[3-[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]-5-chloroimidazo[4,5-b]pyridin-7-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-4-methyloxolan-2-yl]-5-chloroimidazo[4,5-b]pyridin-7-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;carbon dioxide;ethyl 2-[[(2S,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-diazobutanoate.
What is the SMILES notation for (2R,3S,4R,5R)-5-(7-amino-5-chloroimidazo[4,5-b]pyridin-3-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-3-ol;2-[[(2R,3R,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]propanedioic acid;tert-butyl N-[3-[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]-5-chloroimidazo[4,5-b]pyridin-7-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-4-methyloxolan-2-yl]-5-chloroimidazo[4,5-b]pyridin-7-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;carbon dioxide;ethyl 2-[[(2S,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-diazobutanoate?
The canonical SMILES for (2R,3S,4R,5R)-5-(7-amino-5-chloroimidazo[4,5-b]pyridin-3-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-3-ol;2-[[(2R,3R,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]propanedioic acid;tert-butyl N-[3-[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]-5-chloroimidazo[4,5-b]pyridin-7-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-4-methyloxolan-2-yl]-5-chloroimidazo[4,5-b]pyridin-7-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;carbon dioxide;ethyl 2-[[(2S,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-diazobutanoate is CCOC(=O)C(CC)=[N+]=[N-].CCOC(=O)C(OC[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C)C(C)=O.COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc(Cl)nc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2C)(c2ccccc2)c2ccccc2)cc1.COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(N)cc(Cl)nc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)(c2ccccc2)c2ccccc2)cc1.C[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](n2cnc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc(Cl)nc32)O[C@@H]1CO.Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COC(C(=O)O)C(=O)O)[C@H](O)[C@H]1O.O=C=O.
What is the InChIKey of (2R,3S,4R,5R)-5-(7-amino-5-chloroimidazo[4,5-b]pyridin-3-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-3-ol;2-[[(2R,3R,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]propanedioic acid;tert-butyl N-[3-[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]-5-chloroimidazo[4,5-b]pyridin-7-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-4-methyloxolan-2-yl]-5-chloroimidazo[4,5-b]pyridin-7-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;carbon dioxide;ethyl 2-[[(2S,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-diazobutanoate?
The InChIKey is LSUCQHSXXBOHEI-DAXJFAAVSA-N. The full InChI is InChI=1S/C48H61ClN4O8Si.C37H43ClN4O5Si.C28H45ClN4O7Si.C23H36ClN5O6Si.C13H14ClN5O8.C6H10N2O2.CO2/c1-31-37(29-57-48(32-20-16-14-17-21-32,33-22-18-15-19-23-33)34-24-26-35(56-11)27-25-34)58-42(40(31)61-62(12,13)47(8,9)10)52-30-50-39-36(28-38(49)51-41(39)52)53(43(54)59-45(2,3)4)44(55)60-46(5,6)7;1-36(2,3)48(5,6)47-33-32(43)29(46-35(33)42-23-40-31-28(39)21-30(38)41-34(31)42)22-45-37(24-13-9-7-10-14-24,25-15-11-8-12-16-25)26-17-19-27(44-4)20-18-26;1-16-18(14-34)37-23(21(16)40-41(11,12)28(8,9)10)32-15-30-20-17(13-19(29)31-22(20)32)33(24(35)38-26(2,3)4)25(36)39-27(5,6)7;1-9-32-21(31)17(13(3)30)33-10-14-12(2)16(35-36(7,8)23(4,5)6)20(34-14)29-11-26-15-18(25)27-22(24)28-19(15)29;14-13-17-8(15)4-9(18-13)19(2-16-4)10-6(21)5(20)3(27-10)1-26-7(11(22)23)12(24)25;1-3-5(8-7)6(9)10-4-2;2-1-3/h14-28,30-31,37,40,42H,29H2,1-13H3;7-21,23,29,32-33,35,43H,22H2,1-6H3,(H2,39,41);13,15-16,18,21,23,34H,14H2,1-12H3;11-12,14,16-17,20H,9-10H2,1-8H3,(H2,25,27,28);2-3,5-7,10,20-21H,1H2,(H,22,23)(H,24,25)(H2,15,17,18);3-4H2,1-2H3;/t31-,37+,40+,42+;29-,32+,33-,35-;16-,18+,21+,23+;12-,14+,16+,17?,20+;3-,5+,6-,10-;;/m01001../s1.
What are the key properties of (2R,3S,4R,5R)-5-(7-amino-5-chloroimidazo[4,5-b]pyridin-3-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-3-ol;2-[[(2R,3R,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]propanedioic acid;tert-butyl N-[3-[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]-5-chloroimidazo[4,5-b]pyridin-7-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-4-methyloxolan-2-yl]-5-chloroimidazo[4,5-b]pyridin-7-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;carbon dioxide;ethyl 2-[[(2S,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-diazobutanoate?
(2R,3S,4R,5R)-5-(7-amino-5-chloroimidazo[4,5-b]pyridin-3-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-3-ol;2-[[(2R,3R,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]propanedioic acid;tert-butyl N-[3-[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]-5-chloroimidazo[4,5-b]pyridin-7-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-4-methyloxolan-2-yl]-5-chloroimidazo[4,5-b]pyridin-7-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;carbon dioxide;ethyl 2-[[(2S,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-diazobutanoate has a molecular weight of 3318.13 g/mol, XLogP of 27.52, 44 rotatable bonds, 9 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-5-(7-amino-5-chloroimidazo[4,5-b]pyridin-3-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-3-ol;2-[[(2R,3R,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]propanedioic acid;tert-butyl N-[3-[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]-5-chloroimidazo[4,5-b]pyridin-7-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-4-methyloxolan-2-yl]-5-chloroimidazo[4,5-b]pyridin-7-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;carbon dioxide;ethyl 2-[[(2S,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxolan-2-yl]methoxy]-3-oxobutanoate;ethyl 2-diazobutanoate is sourced from PubChem (CID 159446151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).