[(3S,5R)-2-acetyloxy-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] acetate;[(2R,3S,5R)-2-(6-benzamidopurin-9-yl)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] acetate;[(2R,5R)-2-(6-benzamidopurin-9-yl)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] trifluoromethanesulfonate;N-[9-[(2R,3S,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-oxo-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide

C199H254F3N25O35SSi6 — CID 159890913

IUPAC[(3S,5R)-2-acetyloxy-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] acetate;[(2R,3S,5R)-2-(6-benzamidopurin-9-yl)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] acetate;[(2R,5R)-2-(6-benzamidopurin-9-yl)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] trifluoromethanesulfonate;N-[9-[(2R,3S,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-oxo-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide
SMILESCC[C@@]1(C2(O[Si](C)(C)C(C)(C)C)CC2)OC(OC(C)=O)[C@@H](OC(C)=O)C1OCc1ccccc1.CC[C@@]1(C2(O[Si](C)(C)C(C)(C)C)CC2)O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)C(=O)C1OCc1ccccc1.CC[C@@]1(C2(O[Si](C)(C)C(C)(C)C)CC2)O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)C(O)C1OCc1ccccc1.CC[C@@]1(C2(O[Si](C)(C)C(C)(C)C)CC2)O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)C(OS(=O)(=O)C(F)(F)F)C1OCc1ccccc1.CC[C@@]1(C2(O[Si](C)(C)C(C)(C)C)CC2)O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@@H](O)C1OCc1ccccc1.CC[C@@]1(C2(O[Si](C)(C)C(C)(C)C)CC2)O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@@H](OC(C)=O)C1OCc1ccccc1
InChIInChI=1S/C36H45N5O6Si.C35H42F3N5O7SSi.2C34H43N5O5Si.C34H41N5O5Si.C26H40O7Si/c1-8-36(35(19-20-35)47-48(6,7)34(3,4)5)29(44-21-25-15-11-9-12-16-25)28(45-24(2)42)33(46-36)41-23-39-27-30(37-22-38-31(27)41)40-32(43)26-17-13-10-14-18-26;1-7-34(33(18-19-33)50-52(5,6)32(2,3)4)27(47-20-23-14-10-8-11-15-23)26(49-51(45,46)35(36,37)38)31(48-34)43-22-41-25-28(39-21-40-29(25)43)42-30(44)24-16-12-9-13-17-24;3*1-7-34(33(18-19-33)44-45(5,6)32(2,3)4)27(42-20-23-14-10-8-11-15-23)26(40)31(43-34)39-22-37-25-28(35-21-36-29(25)39)38-30(41)24-16-12-9-13-17-24;1-9-26(25(15-16-25)33-34(7,8)24(4,5)6)22(29-17-20-13-11-10-12-14-20)21(30-18(2)27)23(32-26)31-19(3)28/h9-18,22-23,28-29,33H,8,19-21H2,1-7H3,(H,37,38,40,43);8-17,21-22,26-27,31H,7,18-20H2,1-6H3,(H,39,40,42,44);2*8-17,21-22,26-27,31,40H,7,18-20H2,1-6H3,(H,35,36,38,41);8-17,21-22,27,31H,7,18-20H2,1-6H3,(H,35,36,38,41);10-14,21-23H,9,15-17H2,1-8H3/t28-,29?,33+,36+;2*26?,27?,31-,34-;26-,27?,31+,34+;27?,31-,34-;21-,22?,23?,26+/m011010/s1
InChIKeyNUSVZYWPDUKOJU-VBXROMGASA-N
MW3813.94 g/mol
LogP38.06
Rot. Bonds62

About [(3S,5R)-2-acetyloxy-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] acetate;[(2R,3S,5R)-2-(6-benzamidopurin-9-yl)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] acetate;[(2R,5R)-2-(6-benzamidopurin-9-yl)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] trifluoromethanesulfonate;N-[9-[(2R,3S,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-oxo-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide

[(3S,5R)-2-acetyloxy-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] acetate;[(2R,3S,5R)-2-(6-benzamidopurin-9-yl)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] acetate;[(2R,5R)-2-(6-benzamidopurin-9-yl)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] trifluoromethanesulfonate;N-[9-[(2R,3S,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-oxo-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide (PubChem CID 159890913) has the molecular formula C199H254F3N25O35SSi6 and a molecular weight of 3813.94 g/mol. Its IUPAC name is [(3S,5R)-2-acetyloxy-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] acetate;[(2R,3S,5R)-2-(6-benzamidopurin-9-yl)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] acetate;[(2R,5R)-2-(6-benzamidopurin-9-yl)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] trifluoromethanesulfonate;N-[9-[(2R,3S,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-oxo-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide.

Molecular Properties

Compound Name[(3S,5R)-2-acetyloxy-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] acetate;[(2R,3S,5R)-2-(6-benzamidopurin-9-yl)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] acetate;[(2R,5R)-2-(6-benzamidopurin-9-yl)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] trifluoromethanesulfonate;N-[9-[(2R,3S,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-oxo-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide
PubChem CID159890913
Molecular FormulaC199H254F3N25O35SSi6
Molecular Weight3813.94 g/mol
Exact Mass3810.72
IUPAC Name[(3S,5R)-2-acetyloxy-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] acetate;[(2R,3S,5R)-2-(6-benzamidopurin-9-yl)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] acetate;[(2R,5R)-2-(6-benzamidopurin-9-yl)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] trifluoromethanesulfonate;N-[9-[(2R,3S,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-oxo-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide
SMILESCC[C@@]1(C2(O[Si](C)(C)C(C)(C)C)CC2)OC(OC(C)=O)[C@@H](OC(C)=O)C1OCc1ccccc1.CC[C@@]1(C2(O[Si](C)(C)C(C)(C)C)CC2)O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)C(=O)C1OCc1ccccc1.CC[C@@]1(C2(O[Si](C)(C)C(C)(C)C)CC2)O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)C(O)C1OCc1ccccc1.CC[C@@]1(C2(O[Si](C)(C)C(C)(C)C)CC2)O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)C(OS(=O)(=O)C(F)(F)F)C1OCc1ccccc1.CC[C@@]1(C2(O[Si](C)(C)C(C)(C)C)CC2)O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@@H](O)C1OCc1ccccc1.CC[C@@]1(C2(O[Si](C)(C)C(C)(C)C)CC2)O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@@H](OC(C)=O)C1OCc1ccccc1
InChIInChI=1S/C36H45N5O6Si.C35H42F3N5O7SSi.2C34H43N5O5Si.C34H41N5O5Si.C26H40O7Si/c1-8-36(35(19-20-35)47-48(6,7)34(3,4)5)29(44-21-25-15-11-9-12-16-25)28(45-24(2)42)33(46-36)41-23-39-27-30(37-22-38-31(27)41)40-32(43)26-17-13-10-14-18-26;1-7-34(33(18-19-33)50-52(5,6)32(2,3)4)27(47-20-23-14-10-8-11-15-23)26(49-51(45,46)35(36,37)38)31(48-34)43-22-41-25-28(39-21-40-29(25)43)42-30(44)24-16-12-9-13-17-24;3*1-7-34(33(18-19-33)44-45(5,6)32(2,3)4)27(42-20-23-14-10-8-11-15-23)26(40)31(43-34)39-22-37-25-28(35-21-36-29(25)39)38-30(41)24-16-12-9-13-17-24;1-9-26(25(15-16-25)33-34(7,8)24(4,5)6)22(29-17-20-13-11-10-12-14-20)21(30-18(2)27)23(32-26)31-19(3)28/h9-18,22-23,28-29,33H,8,19-21H2,1-7H3,(H,37,38,40,43);8-17,21-22,26-27,31H,7,18-20H2,1-6H3,(H,39,40,42,44);2*8-17,21-22,26-27,31,40H,7,18-20H2,1-6H3,(H,35,36,38,41);8-17,21-22,27,31H,7,18-20H2,1-6H3,(H,35,36,38,41);10-14,21-23H,9,15-17H2,1-8H3/t28-,29?,33+,36+;2*26?,27?,31-,34-;26-,27?,31+,34+;27?,31-,34-;21-,22?,23?,26+/m011010/s1
InChIKeyNUSVZYWPDUKOJU-VBXROMGASA-N
XLogP38.06
TPSA709.44 Ų
H-Bond Donors7
H-Bond Acceptors55
Rotatable Bonds62
Heavy Atoms269
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003813.94
LogP ≤ 538.06
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1055

Analyze [(3S,5R)-2-acetyloxy-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] acetate;[(2R,3S,5R)-2-(6-benzamidopurin-9-yl)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] acetate;[(2R,5R)-2-(6-benzamidopurin-9-yl)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] trifluoromethanesulfonate;N-[9-[(2R,3S,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-oxo-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide 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

[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-ethyl-4-methyloxolan-3-yl] trifluoromethanesulfonate;[(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] benzoate;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;[(2R,3S,4R,5R)-2-[6-(dibenzoylamino)-2-nitropurin-9-yl]-5-ethyl-4-methyloxolan-3-yl] benzoate;[(2R,3S,4R,5R)-2-[6-(dibenzoylamino)purin-9-yl]-5-ethyl-4-methyloxolan-3-yl] benzoate
CID 157339405
sodium;9-[(2R,4aR,7R,8S)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-amine;N-[9-[(2R,4aR,7R,8S)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]purin-6-yl]benzamide;[(2R,4aR,7S,8R)-8-fluoro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] trifluoromethanesulfonate;N-[9-[(3R,4S,6R)-5-[2-cyanoethoxy-(dipropylamino)phosphanyl]oxy-6-ethyl-4-fluorooxan-3-yl]purin-6-yl]benzamide;N-[9-[(3R,4S,6R)-6-ethyl-4-fluoro-5-hydroxyoxan-3-yl]purin-6-yl]benzamide;N-[9-[(3R,4S,6R)-4-fluoro-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]purin-6-yl]benzamide;hydride;7H-purin-6-amine
CID 157463292
[(2R,3S,4S,5R)-2-(6-benzamidopurin-9-yl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethyl-4-methyloxolan-3-yl] acetate;[(2R,3S,4S,5R)-2-(6-benzamidopurin-9-yl)-5-ethyl-4-methyl-5-(methylsulfonyloxymethyl)oxolan-3-yl] acetate;[(2R,3S,4S,5R)-2-(6-benzamidopurin-9-yl)-5-ethyl-4-methyl-5-(methylsulfonyloxymethyl)oxolan-3-yl] trifluoromethanesulfonate;9-[(1R,3R,4R,7S)-1-ethyl-5-methoxy-7-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]purin-6-amine;N-[9-[(1R,3R,4R,7S)-7-hydroxy-1-(hydroxymethyl)-5-methoxy-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]purin-6-yl]benzamide
CID 157551029
[(2S,3R,4R)-4-acetyloxy-5-(6-aminopurin-9-yl)-2-ethyl-3-methyloxolan-2-yl]methyl benzoate;[(2S,3R,4R,5R)-4,5-diacetyloxy-2-ethyl-3-methyloxolan-2-yl]methyl benzoate;(2R,3R,4R,5S)-5-ethyl-5-(hydroxymethyl)-4-methyl-2-[6-(tritylamino)purin-9-yl]oxolan-3-ol;N-[9-[(1S,3R,4S,7R)-1-ethyl-5-methoxy-7-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]purin-6-yl]benzamide;9-[(1S,3R,4S,7R)-1-ethyl-5-methoxy-7-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]-N-tritylpurin-6-amine;[(2S,3R,4R,5R)-2-ethyl-3-methyl-4-(trifluoromethylsulfonyloxy)-5-[6-(tritylamino)purin-9-yl]oxolan-2-yl]methyl trifluoromethanesulfonate
CID 157557171
(1R,3R,7R)-3-(6-aminopurin-9-yl)-1-(hydroxymethyl)spiro[2,5-dioxabicyclo[2.2.1]heptane-6,1'-cyclopropane]-7-ol;[(2R,4R,5R)-2-(6-benzamidopurin-9-yl)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] trifluoromethanesulfonate;9-[(1R,3R,7R)-1-ethyl-7-phenylmethoxyspiro[2,5-dioxabicyclo[2.2.1]heptane-6,1'-cyclopropane]-3-yl]purin-6-amine;N-[9-[(1R,3R,7R)-1-ethyl-7-phenylmethoxyspiro[2,5-dioxabicyclo[2.2.1]heptane-6,1'-cyclopropane]-3-yl]purin-6-yl]benzamide;N-[9-[(1R,3R,7R)-7-hydroxy-1-(hydroxymethyl)spiro[2,5-dioxabicyclo[2.2.1]heptane-6,1'-cyclopropane]-3-yl]purin-6-yl]benzamide
CID 157634323
CID 157730107
CID 157730107
[(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl] trifluoromethanesulfonate;[(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] benzoate;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;[(2R,3R,4S,5R)-3,4-dibenzoyloxy-5-[6-(dibenzoylamino)-2-nitropurin-9-yl]oxolan-2-yl]methyl benzoate;[(2R,3R,4S,5R)-3,4-dibenzoyloxy-5-[6-(dibenzoylamino)purin-9-yl]oxolan-2-yl]methyl benzoate
CID 158105140
[(2R,4R,5R)-2-(6-benzamidopurin-9-yl)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] trifluoromethanesulfonate;N-[9-[(2R,4R,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide
CID 158800485
[(2R,5R)-2-(6-benzamidopurin-9-yl)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] trifluoromethanesulfonate;N-[9-[(2R,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide
CID 158800487
[(2R,4R,5R)-2-(6-benzamidopurin-9-yl)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] trifluoromethanesulfonate;N-[9-[(1R,3R,7R)-1-ethyl-7-phenylmethoxyspiro[2,5-dioxabicyclo[2.2.1]heptane-6,1'-cyclopropane]-3-yl]purin-6-yl]benzamide
CID 160091616
[(2R,5R)-2-(6-benzamidopurin-9-yl)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] trifluoromethanesulfonate;N-[9-[(1R,3R,4S)-1-ethyl-7-phenylmethoxyspiro[2,5-dioxabicyclo[2.2.1]heptane-6,1'-cyclopropane]-3-yl]purin-6-yl]benzamide
CID 160091617
[(2R,3S,4R,5R)-5-(6-benzamidopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxyoxolan-3-yl] acetate;[(2R,3R,4R,5R)-5-(6-benzamidopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxyoxolan-3-yl] trifluoromethanesulfonate;N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide
CID 161709912

Frequently Asked Questions

What is the IUPAC name of [(3S,5R)-2-acetyloxy-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] acetate;[(2R,3S,5R)-2-(6-benzamidopurin-9-yl)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] acetate;[(2R,5R)-2-(6-benzamidopurin-9-yl)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] trifluoromethanesulfonate;N-[9-[(2R,3S,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-oxo-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide?
The IUPAC name of [(3S,5R)-2-acetyloxy-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] acetate;[(2R,3S,5R)-2-(6-benzamidopurin-9-yl)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] acetate;[(2R,5R)-2-(6-benzamidopurin-9-yl)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] trifluoromethanesulfonate;N-[9-[(2R,3S,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-oxo-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide (CID 159890913) is [(3S,5R)-2-acetyloxy-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] acetate;[(2R,3S,5R)-2-(6-benzamidopurin-9-yl)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] acetate;[(2R,5R)-2-(6-benzamidopurin-9-yl)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] trifluoromethanesulfonate;N-[9-[(2R,3S,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-oxo-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide.
What is the SMILES notation for [(3S,5R)-2-acetyloxy-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] acetate;[(2R,3S,5R)-2-(6-benzamidopurin-9-yl)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] acetate;[(2R,5R)-2-(6-benzamidopurin-9-yl)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] trifluoromethanesulfonate;N-[9-[(2R,3S,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-oxo-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide?
The canonical SMILES for [(3S,5R)-2-acetyloxy-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] acetate;[(2R,3S,5R)-2-(6-benzamidopurin-9-yl)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] acetate;[(2R,5R)-2-(6-benzamidopurin-9-yl)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] trifluoromethanesulfonate;N-[9-[(2R,3S,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-oxo-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide is CC[C@@]1(C2(O[Si](C)(C)C(C)(C)C)CC2)OC(OC(C)=O)[C@@H](OC(C)=O)C1OCc1ccccc1.CC[C@@]1(C2(O[Si](C)(C)C(C)(C)C)CC2)O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)C(=O)C1OCc1ccccc1.CC[C@@]1(C2(O[Si](C)(C)C(C)(C)C)CC2)O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)C(O)C1OCc1ccccc1.CC[C@@]1(C2(O[Si](C)(C)C(C)(C)C)CC2)O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)C(OS(=O)(=O)C(F)(F)F)C1OCc1ccccc1.CC[C@@]1(C2(O[Si](C)(C)C(C)(C)C)CC2)O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@@H](O)C1OCc1ccccc1.CC[C@@]1(C2(O[Si](C)(C)C(C)(C)C)CC2)O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@@H](OC(C)=O)C1OCc1ccccc1.
What is the InChIKey of [(3S,5R)-2-acetyloxy-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] acetate;[(2R,3S,5R)-2-(6-benzamidopurin-9-yl)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] acetate;[(2R,5R)-2-(6-benzamidopurin-9-yl)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] trifluoromethanesulfonate;N-[9-[(2R,3S,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-oxo-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide?
The InChIKey is NUSVZYWPDUKOJU-VBXROMGASA-N. The full InChI is InChI=1S/C36H45N5O6Si.C35H42F3N5O7SSi.2C34H43N5O5Si.C34H41N5O5Si.C26H40O7Si/c1-8-36(35(19-20-35)47-48(6,7)34(3,4)5)29(44-21-25-15-11-9-12-16-25)28(45-24(2)42)33(46-36)41-23-39-27-30(37-22-38-31(27)41)40-32(43)26-17-13-10-14-18-26;1-7-34(33(18-19-33)50-52(5,6)32(2,3)4)27(47-20-23-14-10-8-11-15-23)26(49-51(45,46)35(36,37)38)31(48-34)43-22-41-25-28(39-21-40-29(25)43)42-30(44)24-16-12-9-13-17-24;3*1-7-34(33(18-19-33)44-45(5,6)32(2,3)4)27(42-20-23-14-10-8-11-15-23)26(40)31(43-34)39-22-37-25-28(35-21-36-29(25)39)38-30(41)24-16-12-9-13-17-24;1-9-26(25(15-16-25)33-34(7,8)24(4,5)6)22(29-17-20-13-11-10-12-14-20)21(30-18(2)27)23(32-26)31-19(3)28/h9-18,22-23,28-29,33H,8,19-21H2,1-7H3,(H,37,38,40,43);8-17,21-22,26-27,31H,7,18-20H2,1-6H3,(H,39,40,42,44);2*8-17,21-22,26-27,31,40H,7,18-20H2,1-6H3,(H,35,36,38,41);8-17,21-22,27,31H,7,18-20H2,1-6H3,(H,35,36,38,41);10-14,21-23H,9,15-17H2,1-8H3/t28-,29?,33+,36+;2*26?,27?,31-,34-;26-,27?,31+,34+;27?,31-,34-;21-,22?,23?,26+/m011010/s1.
What are the key properties of [(3S,5R)-2-acetyloxy-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] acetate;[(2R,3S,5R)-2-(6-benzamidopurin-9-yl)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] acetate;[(2R,5R)-2-(6-benzamidopurin-9-yl)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] trifluoromethanesulfonate;N-[9-[(2R,3S,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-oxo-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide?
[(3S,5R)-2-acetyloxy-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] acetate;[(2R,3S,5R)-2-(6-benzamidopurin-9-yl)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] acetate;[(2R,5R)-2-(6-benzamidopurin-9-yl)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] trifluoromethanesulfonate;N-[9-[(2R,3S,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-oxo-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide has a molecular weight of 3813.94 g/mol, XLogP of 38.06, 62 rotatable bonds, 7 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5R)-2-acetyloxy-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] acetate;[(2R,3S,5R)-2-(6-benzamidopurin-9-yl)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] acetate;[(2R,5R)-2-(6-benzamidopurin-9-yl)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-4-phenylmethoxyoxolan-3-yl] trifluoromethanesulfonate;N-[9-[(2R,3S,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-hydroxy-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,5R)-5-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-5-ethyl-3-oxo-4-phenylmethoxyoxolan-2-yl]purin-6-yl]benzamide is sourced from PubChem (CID 159890913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).