(2R,3S,4R,5S,6R,7R)-6-amino-7-(6-aminopurin-9-yl)-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;(2R,3S,4R,5S,6R,7R)-7-(6-aminopurin-9-yl)-6-azido-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;6-azido-9-[(2R,3R,4S,5R,6R,7R)-3-azido-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-2-yl]purine;(2R,3S,4R,5S,6R,7R)-6-azido-7-(6-azidopurin-9-yl)-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;(2R,3S,4R,5S,6R,7R)-6-azido-7-(6-chloropurin-9-yl)-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;9-[(2R,3R,4S,5R,6R,7R)-3-azido-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-2-yl]-6-chloropurine;(2R,3S,4R,5S,6R,7R)-2-(6-chloropurin-9-yl)-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-ol;[(2R,3R,4R,5S,6R,7R)-2-(6-chloropurin-9-yl)-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-yl] trifluoromethanesulfonate;(2R,3R,4S,5R,6R,7R)-2-(6-chloropurin-9-yl)-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-ol;[(2R,3R,4R,5S,6R,7R)-2-(6-chloropurin-9-yl)-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-yl] benzoate

C304H313Cl6F3N64O57S — CID 157088047

IUPAC(2R,3S,4R,5S,6R,7R)-6-amino-7-(6-aminopurin-9-yl)-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;(2R,3S,4R,5S,6R,7R)-7-(6-aminopurin-9-yl)-6-azido-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;6-azido-9-[(2R,3R,4S,5R,6R,7R)-3-azido-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-2-yl]purine;(2R,3S,4R,5S,6R,7R)-6-azido-7-(6-azidopurin-9-yl)-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;(2R,3S,4R,5S,6R,7R)-6-azido-7-(6-chloropurin-9-yl)-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;9-[(2R,3R,4S,5R,6R,7R)-3-azido-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-2-yl]-6-chloropurine;(2R,3S,4R,5S,6R,7R)-2-(6-chloropurin-9-yl)-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-ol;[(2R,3R,4R,5S,6R,7R)-2-(6-chloropurin-9-yl)-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-yl] trifluoromethanesulfonate;(2R,3R,4S,5R,6R,7R)-2-(6-chloropurin-9-yl)-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-ol;[(2R,3R,4R,5S,6R,7R)-2-(6-chloropurin-9-yl)-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-yl] benzoate
SMILESC[C@@]1(N)[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc21.C[C@@]1(N=[N+]=[N-])[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(Cl)ncnc21.C[C@@]1(N=[N+]=[N-])[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc21.C[C@@]1(N=[N+]=[N-])[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N=[N+]=[N-])ncnc21.C[C@@]1(N=[N+]=[N-])[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@H]1n1cnc2c(Cl)ncnc21.C[C@@]1(N=[N+]=[N-])[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@H]1n1cnc2c(N=[N+]=[N-])ncnc21.C[C@@]1(OS(=O)(=O)C(F)(F)F)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@H]1n1cnc2c(Cl)ncnc21.C[C@]1(O)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@H]1n1cnc2c(Cl)ncnc21.O=C(O[C@@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@H]1n1cnc2c(Cl)ncnc21)c1ccccc1.O[C@@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@H]1n1cnc2c(Cl)ncnc21
InChIInChI=1S/C47H43ClN4O7.C42H40ClF3N4O8S.C41H40ClN7O5.C41H41ClN4O6.C41H40N10O5.C40H39ClN4O6.C13H16ClN7O5.C13H16N10O5.C13H18N8O5.C13H20N6O5/c48-44-39-45(50-31-49-44)52(32-51-39)46-43(59-47(53)37-24-14-5-15-25-37)42(57-29-36-22-12-4-13-23-36)41(56-28-35-20-10-3-11-21-35)40(55-27-34-18-8-2-9-19-34)38(58-46)30-54-26-33-16-6-1-7-17-33;1-41(58-59(51,52)42(44,45)46)37(56-25-32-20-12-5-13-21-32)36(55-24-31-18-10-4-11-19-31)35(54-23-30-16-8-3-9-17-30)33(26-53-22-29-14-6-2-7-15-29)57-40(41)50-28-49-34-38(43)47-27-48-39(34)50;1-41(47-48-43)37(53-25-32-20-12-5-13-21-32)36(52-24-31-18-10-4-11-19-31)35(51-23-30-16-8-3-9-17-30)33(26-50-22-29-14-6-2-7-15-29)54-40(41)49-28-46-34-38(42)44-27-45-39(34)49;1-41(47)37(51-25-32-20-12-5-13-21-32)36(50-24-31-18-10-4-11-19-31)35(49-23-30-16-8-3-9-17-30)33(26-48-22-29-14-6-2-7-15-29)52-40(41)46-28-45-34-38(42)43-27-44-39(34)46;1-41(48-50-43)37(55-25-32-20-12-5-13-21-32)36(54-24-31-18-10-4-11-19-31)35(53-23-30-16-8-3-9-17-30)33(26-52-22-29-14-6-2-7-15-29)56-40(41)51-28-46-34-38(47-49-42)44-27-45-39(34)51;41-38-33-39(43-26-42-38)45(27-44-33)40-34(46)36(49-23-30-17-9-3-10-18-30)37(50-24-31-19-11-4-12-20-31)35(48-22-29-15-7-2-8-16-29)32(51-40)25-47-21-28-13-5-1-6-14-28;1-13(19-20-15)9(25)8(24)7(23)5(2-22)26-12(13)21-4-18-6-10(14)16-3-17-11(6)21;1-13(20-22-15)9(27)8(26)7(25)5(2-24)28-12(13)23-4-18-6-10(19-21-14)16-3-17-11(6)23;1-13(19-20-15)9(25)8(24)7(23)5(2-22)26-12(13)21-4-18-6-10(14)16-3-17-11(6)21;1-13(15)9(23)8(22)7(21)5(2-20)24-12(13)19-4-18-6-10(14)16-3-17-11(6)19/h1-25,31-32,38,40-43,46H,26-30H2;2-21,27-28,33,35-37,40H,22-26H2,1H3;2-21,27-28,33,35-37,40H,22-26H2,1H3;2-21,27-28,33,35-37,40,47H,22-26H2,1H3;2-21,27-28,33,35-37,40H,22-26H2,1H3;1-20,26-27,32,34-37,40,46H,21-25H2;3-5,7-9,12,22-25H,2H2,1H3;3-5,7-9,12,24-27H,2H2,1H3;3-5,7-9,12,22-25H,2H2,1H3,(H2,14,16,17);3-5,7-9,12,20-23H,2,15H2,1H3,(H2,14,16,17)/t38-,40-,41+,42-,43-,46-;2*33-,35-,36+,37-,40-,41-;33-,35-,36+,37-,40-,41+;33-,35-,36+,37-,40-,41-;32-,34-,35-,36+,37+,40-;4*5-,7-,8+,9-,12-,13-/m1111111111/s1
InChIKeyAEHZXNGLEAUXJA-SQRPUUAVSA-N
MW6077.02 g/mol
LogP42.37
Rot. Bonds103

About (2R,3S,4R,5S,6R,7R)-6-amino-7-(6-aminopurin-9-yl)-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;(2R,3S,4R,5S,6R,7R)-7-(6-aminopurin-9-yl)-6-azido-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;6-azido-9-[(2R,3R,4S,5R,6R,7R)-3-azido-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-2-yl]purine;(2R,3S,4R,5S,6R,7R)-6-azido-7-(6-azidopurin-9-yl)-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;(2R,3S,4R,5S,6R,7R)-6-azido-7-(6-chloropurin-9-yl)-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;9-[(2R,3R,4S,5R,6R,7R)-3-azido-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-2-yl]-6-chloropurine;(2R,3S,4R,5S,6R,7R)-2-(6-chloropurin-9-yl)-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-ol;[(2R,3R,4R,5S,6R,7R)-2-(6-chloropurin-9-yl)-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-yl] trifluoromethanesulfonate;(2R,3R,4S,5R,6R,7R)-2-(6-chloropurin-9-yl)-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-ol;[(2R,3R,4R,5S,6R,7R)-2-(6-chloropurin-9-yl)-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-yl] benzoate

(2R,3S,4R,5S,6R,7R)-6-amino-7-(6-aminopurin-9-yl)-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;(2R,3S,4R,5S,6R,7R)-7-(6-aminopurin-9-yl)-6-azido-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;6-azido-9-[(2R,3R,4S,5R,6R,7R)-3-azido-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-2-yl]purine;(2R,3S,4R,5S,6R,7R)-6-azido-7-(6-azidopurin-9-yl)-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;(2R,3S,4R,5S,6R,7R)-6-azido-7-(6-chloropurin-9-yl)-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;9-[(2R,3R,4S,5R,6R,7R)-3-azido-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-2-yl]-6-chloropurine;(2R,3S,4R,5S,6R,7R)-2-(6-chloropurin-9-yl)-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-ol;[(2R,3R,4R,5S,6R,7R)-2-(6-chloropurin-9-yl)-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-yl] trifluoromethanesulfonate;(2R,3R,4S,5R,6R,7R)-2-(6-chloropurin-9-yl)-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-ol;[(2R,3R,4R,5S,6R,7R)-2-(6-chloropurin-9-yl)-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-yl] benzoate (PubChem CID 157088047) has the molecular formula C304H313Cl6F3N64O57S and a molecular weight of 6077.02 g/mol. Its IUPAC name is (2R,3S,4R,5S,6R,7R)-6-amino-7-(6-aminopurin-9-yl)-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;(2R,3S,4R,5S,6R,7R)-7-(6-aminopurin-9-yl)-6-azido-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;6-azido-9-[(2R,3R,4S,5R,6R,7R)-3-azido-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-2-yl]purine;(2R,3S,4R,5S,6R,7R)-6-azido-7-(6-azidopurin-9-yl)-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;(2R,3S,4R,5S,6R,7R)-6-azido-7-(6-chloropurin-9-yl)-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;9-[(2R,3R,4S,5R,6R,7R)-3-azido-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-2-yl]-6-chloropurine;(2R,3S,4R,5S,6R,7R)-2-(6-chloropurin-9-yl)-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-ol;[(2R,3R,4R,5S,6R,7R)-2-(6-chloropurin-9-yl)-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-yl] trifluoromethanesulfonate;(2R,3R,4S,5R,6R,7R)-2-(6-chloropurin-9-yl)-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-ol;[(2R,3R,4R,5S,6R,7R)-2-(6-chloropurin-9-yl)-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-yl] benzoate.

Molecular Properties

Compound Name(2R,3S,4R,5S,6R,7R)-6-amino-7-(6-aminopurin-9-yl)-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;(2R,3S,4R,5S,6R,7R)-7-(6-aminopurin-9-yl)-6-azido-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;6-azido-9-[(2R,3R,4S,5R,6R,7R)-3-azido-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-2-yl]purine;(2R,3S,4R,5S,6R,7R)-6-azido-7-(6-azidopurin-9-yl)-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;(2R,3S,4R,5S,6R,7R)-6-azido-7-(6-chloropurin-9-yl)-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;9-[(2R,3R,4S,5R,6R,7R)-3-azido-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-2-yl]-6-chloropurine;(2R,3S,4R,5S,6R,7R)-2-(6-chloropurin-9-yl)-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-ol;[(2R,3R,4R,5S,6R,7R)-2-(6-chloropurin-9-yl)-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-yl] trifluoromethanesulfonate;(2R,3R,4S,5R,6R,7R)-2-(6-chloropurin-9-yl)-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-ol;[(2R,3R,4R,5S,6R,7R)-2-(6-chloropurin-9-yl)-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-yl] benzoate
PubChem CID157088047
Molecular FormulaC304H313Cl6F3N64O57S
Molecular Weight6077.02 g/mol
Exact Mass6070.14
IUPAC Name(2R,3S,4R,5S,6R,7R)-6-amino-7-(6-aminopurin-9-yl)-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;(2R,3S,4R,5S,6R,7R)-7-(6-aminopurin-9-yl)-6-azido-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;6-azido-9-[(2R,3R,4S,5R,6R,7R)-3-azido-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-2-yl]purine;(2R,3S,4R,5S,6R,7R)-6-azido-7-(6-azidopurin-9-yl)-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;(2R,3S,4R,5S,6R,7R)-6-azido-7-(6-chloropurin-9-yl)-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;9-[(2R,3R,4S,5R,6R,7R)-3-azido-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-2-yl]-6-chloropurine;(2R,3S,4R,5S,6R,7R)-2-(6-chloropurin-9-yl)-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-ol;[(2R,3R,4R,5S,6R,7R)-2-(6-chloropurin-9-yl)-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-yl] trifluoromethanesulfonate;(2R,3R,4S,5R,6R,7R)-2-(6-chloropurin-9-yl)-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-ol;[(2R,3R,4R,5S,6R,7R)-2-(6-chloropurin-9-yl)-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-yl] benzoate
SMILESC[C@@]1(N)[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc21.C[C@@]1(N=[N+]=[N-])[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(Cl)ncnc21.C[C@@]1(N=[N+]=[N-])[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc21.C[C@@]1(N=[N+]=[N-])[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N=[N+]=[N-])ncnc21.C[C@@]1(N=[N+]=[N-])[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@H]1n1cnc2c(Cl)ncnc21.C[C@@]1(N=[N+]=[N-])[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@H]1n1cnc2c(N=[N+]=[N-])ncnc21.C[C@@]1(OS(=O)(=O)C(F)(F)F)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@H]1n1cnc2c(Cl)ncnc21.C[C@]1(O)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@H]1n1cnc2c(Cl)ncnc21.O=C(O[C@@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@H]1n1cnc2c(Cl)ncnc21)c1ccccc1.O[C@@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@H]1n1cnc2c(Cl)ncnc21
InChIInChI=1S/C47H43ClN4O7.C42H40ClF3N4O8S.C41H40ClN7O5.C41H41ClN4O6.C41H40N10O5.C40H39ClN4O6.C13H16ClN7O5.C13H16N10O5.C13H18N8O5.C13H20N6O5/c48-44-39-45(50-31-49-44)52(32-51-39)46-43(59-47(53)37-24-14-5-15-25-37)42(57-29-36-22-12-4-13-23-36)41(56-28-35-20-10-3-11-21-35)40(55-27-34-18-8-2-9-19-34)38(58-46)30-54-26-33-16-6-1-7-17-33;1-41(58-59(51,52)42(44,45)46)37(56-25-32-20-12-5-13-21-32)36(55-24-31-18-10-4-11-19-31)35(54-23-30-16-8-3-9-17-30)33(26-53-22-29-14-6-2-7-15-29)57-40(41)50-28-49-34-38(43)47-27-48-39(34)50;1-41(47-48-43)37(53-25-32-20-12-5-13-21-32)36(52-24-31-18-10-4-11-19-31)35(51-23-30-16-8-3-9-17-30)33(26-50-22-29-14-6-2-7-15-29)54-40(41)49-28-46-34-38(42)44-27-45-39(34)49;1-41(47)37(51-25-32-20-12-5-13-21-32)36(50-24-31-18-10-4-11-19-31)35(49-23-30-16-8-3-9-17-30)33(26-48-22-29-14-6-2-7-15-29)52-40(41)46-28-45-34-38(42)43-27-44-39(34)46;1-41(48-50-43)37(55-25-32-20-12-5-13-21-32)36(54-24-31-18-10-4-11-19-31)35(53-23-30-16-8-3-9-17-30)33(26-52-22-29-14-6-2-7-15-29)56-40(41)51-28-46-34-38(47-49-42)44-27-45-39(34)51;41-38-33-39(43-26-42-38)45(27-44-33)40-34(46)36(49-23-30-17-9-3-10-18-30)37(50-24-31-19-11-4-12-20-31)35(48-22-29-15-7-2-8-16-29)32(51-40)25-47-21-28-13-5-1-6-14-28;1-13(19-20-15)9(25)8(24)7(23)5(2-22)26-12(13)21-4-18-6-10(14)16-3-17-11(6)21;1-13(20-22-15)9(27)8(26)7(25)5(2-24)28-12(13)23-4-18-6-10(19-21-14)16-3-17-11(6)23;1-13(19-20-15)9(25)8(24)7(23)5(2-22)26-12(13)21-4-18-6-10(14)16-3-17-11(6)21;1-13(15)9(23)8(22)7(21)5(2-20)24-12(13)19-4-18-6-10(14)16-3-17-11(6)19/h1-25,31-32,38,40-43,46H,26-30H2;2-21,27-28,33,35-37,40H,22-26H2,1H3;2-21,27-28,33,35-37,40H,22-26H2,1H3;2-21,27-28,33,35-37,40,47H,22-26H2,1H3;2-21,27-28,33,35-37,40H,22-26H2,1H3;1-20,26-27,32,34-37,40,46H,21-25H2;3-5,7-9,12,22-25H,2H2,1H3;3-5,7-9,12,24-27H,2H2,1H3;3-5,7-9,12,22-25H,2H2,1H3,(H2,14,16,17);3-5,7-9,12,20-23H,2,15H2,1H3,(H2,14,16,17)/t38-,40-,41+,42-,43-,46-;2*33-,35-,36+,37-,40-,41-;33-,35-,36+,37-,40-,41+;33-,35-,36+,37-,40-,41-;32-,34-,35-,36+,37+,40-;4*5-,7-,8+,9-,12-,13-/m1111111111/s1
InChIKeyAEHZXNGLEAUXJA-SQRPUUAVSA-N
XLogP42.37
TPSA1603.01 Ų
H-Bond Donors21
H-Bond Acceptors107
Rotatable Bonds103
Heavy Atoms435
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006077.02
LogP ≤ 542.37
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 10107

Analyze (2R,3S,4R,5S,6R,7R)-6-amino-7-(6-aminopurin-9-yl)-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;(2R,3S,4R,5S,6R,7R)-7-(6-aminopurin-9-yl)-6-azido-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;6-azido-9-[(2R,3R,4S,5R,6R,7R)-3-azido-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-2-yl]purine;(2R,3S,4R,5S,6R,7R)-6-azido-7-(6-azidopurin-9-yl)-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;(2R,3S,4R,5S,6R,7R)-6-azido-7-(6-chloropurin-9-yl)-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;9-[(2R,3R,4S,5R,6R,7R)-3-azido-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-2-yl]-6-chloropurine;(2R,3S,4R,5S,6R,7R)-2-(6-chloropurin-9-yl)-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-ol;[(2R,3R,4R,5S,6R,7R)-2-(6-chloropurin-9-yl)-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-yl] trifluoromethanesulfonate;(2R,3R,4S,5R,6R,7R)-2-(6-chloropurin-9-yl)-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-ol;[(2R,3R,4R,5S,6R,7R)-2-(6-chloropurin-9-yl)-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-yl] benzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S,6R,7R)-6-amino-7-(6-aminopurin-9-yl)-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;(2R,3S,4R,5S,6R,7R)-7-(6-aminopurin-9-yl)-6-azido-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;6-azido-9-[(2R,3R,4S,5R,6R,7R)-3-azido-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-2-yl]purine;(2R,3S,4R,5S,6R,7R)-6-azido-7-(6-azidopurin-9-yl)-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;(2R,3S,4R,5S,6R,7R)-6-azido-7-(6-chloropurin-9-yl)-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;9-[(2R,3R,4S,5R,6R,7R)-3-azido-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-2-yl]-6-chloropurine;(2R,3S,4R,5S,6R,7R)-2-(6-chloropurin-9-yl)-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-ol;[(2R,3R,4R,5S,6R,7R)-2-(6-chloropurin-9-yl)-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-yl] trifluoromethanesulfonate;(2R,3R,4S,5R,6R,7R)-2-(6-chloropurin-9-yl)-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-ol;[(2R,3R,4R,5S,6R,7R)-2-(6-chloropurin-9-yl)-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-yl] benzoate?
The IUPAC name of (2R,3S,4R,5S,6R,7R)-6-amino-7-(6-aminopurin-9-yl)-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;(2R,3S,4R,5S,6R,7R)-7-(6-aminopurin-9-yl)-6-azido-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;6-azido-9-[(2R,3R,4S,5R,6R,7R)-3-azido-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-2-yl]purine;(2R,3S,4R,5S,6R,7R)-6-azido-7-(6-azidopurin-9-yl)-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;(2R,3S,4R,5S,6R,7R)-6-azido-7-(6-chloropurin-9-yl)-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;9-[(2R,3R,4S,5R,6R,7R)-3-azido-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-2-yl]-6-chloropurine;(2R,3S,4R,5S,6R,7R)-2-(6-chloropurin-9-yl)-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-ol;[(2R,3R,4R,5S,6R,7R)-2-(6-chloropurin-9-yl)-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-yl] trifluoromethanesulfonate;(2R,3R,4S,5R,6R,7R)-2-(6-chloropurin-9-yl)-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-ol;[(2R,3R,4R,5S,6R,7R)-2-(6-chloropurin-9-yl)-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-yl] benzoate (CID 157088047) is (2R,3S,4R,5S,6R,7R)-6-amino-7-(6-aminopurin-9-yl)-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;(2R,3S,4R,5S,6R,7R)-7-(6-aminopurin-9-yl)-6-azido-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;6-azido-9-[(2R,3R,4S,5R,6R,7R)-3-azido-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-2-yl]purine;(2R,3S,4R,5S,6R,7R)-6-azido-7-(6-azidopurin-9-yl)-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;(2R,3S,4R,5S,6R,7R)-6-azido-7-(6-chloropurin-9-yl)-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;9-[(2R,3R,4S,5R,6R,7R)-3-azido-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-2-yl]-6-chloropurine;(2R,3S,4R,5S,6R,7R)-2-(6-chloropurin-9-yl)-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-ol;[(2R,3R,4R,5S,6R,7R)-2-(6-chloropurin-9-yl)-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-yl] trifluoromethanesulfonate;(2R,3R,4S,5R,6R,7R)-2-(6-chloropurin-9-yl)-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-ol;[(2R,3R,4R,5S,6R,7R)-2-(6-chloropurin-9-yl)-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-yl] benzoate.
What is the SMILES notation for (2R,3S,4R,5S,6R,7R)-6-amino-7-(6-aminopurin-9-yl)-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;(2R,3S,4R,5S,6R,7R)-7-(6-aminopurin-9-yl)-6-azido-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;6-azido-9-[(2R,3R,4S,5R,6R,7R)-3-azido-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-2-yl]purine;(2R,3S,4R,5S,6R,7R)-6-azido-7-(6-azidopurin-9-yl)-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;(2R,3S,4R,5S,6R,7R)-6-azido-7-(6-chloropurin-9-yl)-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;9-[(2R,3R,4S,5R,6R,7R)-3-azido-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-2-yl]-6-chloropurine;(2R,3S,4R,5S,6R,7R)-2-(6-chloropurin-9-yl)-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-ol;[(2R,3R,4R,5S,6R,7R)-2-(6-chloropurin-9-yl)-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-yl] trifluoromethanesulfonate;(2R,3R,4S,5R,6R,7R)-2-(6-chloropurin-9-yl)-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-ol;[(2R,3R,4R,5S,6R,7R)-2-(6-chloropurin-9-yl)-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-yl] benzoate?
The canonical SMILES for (2R,3S,4R,5S,6R,7R)-6-amino-7-(6-aminopurin-9-yl)-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;(2R,3S,4R,5S,6R,7R)-7-(6-aminopurin-9-yl)-6-azido-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;6-azido-9-[(2R,3R,4S,5R,6R,7R)-3-azido-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-2-yl]purine;(2R,3S,4R,5S,6R,7R)-6-azido-7-(6-azidopurin-9-yl)-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;(2R,3S,4R,5S,6R,7R)-6-azido-7-(6-chloropurin-9-yl)-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;9-[(2R,3R,4S,5R,6R,7R)-3-azido-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-2-yl]-6-chloropurine;(2R,3S,4R,5S,6R,7R)-2-(6-chloropurin-9-yl)-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-ol;[(2R,3R,4R,5S,6R,7R)-2-(6-chloropurin-9-yl)-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-yl] trifluoromethanesulfonate;(2R,3R,4S,5R,6R,7R)-2-(6-chloropurin-9-yl)-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-ol;[(2R,3R,4R,5S,6R,7R)-2-(6-chloropurin-9-yl)-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-yl] benzoate is C[C@@]1(N)[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc21.C[C@@]1(N=[N+]=[N-])[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(Cl)ncnc21.C[C@@]1(N=[N+]=[N-])[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc21.C[C@@]1(N=[N+]=[N-])[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N=[N+]=[N-])ncnc21.C[C@@]1(N=[N+]=[N-])[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@H]1n1cnc2c(Cl)ncnc21.C[C@@]1(N=[N+]=[N-])[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@H]1n1cnc2c(N=[N+]=[N-])ncnc21.C[C@@]1(OS(=O)(=O)C(F)(F)F)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@H]1n1cnc2c(Cl)ncnc21.C[C@]1(O)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@H]1n1cnc2c(Cl)ncnc21.O=C(O[C@@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@H]1n1cnc2c(Cl)ncnc21)c1ccccc1.O[C@@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@H]1n1cnc2c(Cl)ncnc21.
What is the InChIKey of (2R,3S,4R,5S,6R,7R)-6-amino-7-(6-aminopurin-9-yl)-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;(2R,3S,4R,5S,6R,7R)-7-(6-aminopurin-9-yl)-6-azido-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;6-azido-9-[(2R,3R,4S,5R,6R,7R)-3-azido-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-2-yl]purine;(2R,3S,4R,5S,6R,7R)-6-azido-7-(6-azidopurin-9-yl)-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;(2R,3S,4R,5S,6R,7R)-6-azido-7-(6-chloropurin-9-yl)-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;9-[(2R,3R,4S,5R,6R,7R)-3-azido-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-2-yl]-6-chloropurine;(2R,3S,4R,5S,6R,7R)-2-(6-chloropurin-9-yl)-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-ol;[(2R,3R,4R,5S,6R,7R)-2-(6-chloropurin-9-yl)-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-yl] trifluoromethanesulfonate;(2R,3R,4S,5R,6R,7R)-2-(6-chloropurin-9-yl)-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-ol;[(2R,3R,4R,5S,6R,7R)-2-(6-chloropurin-9-yl)-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-yl] benzoate?
The InChIKey is AEHZXNGLEAUXJA-SQRPUUAVSA-N. The full InChI is InChI=1S/C47H43ClN4O7.C42H40ClF3N4O8S.C41H40ClN7O5.C41H41ClN4O6.C41H40N10O5.C40H39ClN4O6.C13H16ClN7O5.C13H16N10O5.C13H18N8O5.C13H20N6O5/c48-44-39-45(50-31-49-44)52(32-51-39)46-43(59-47(53)37-24-14-5-15-25-37)42(57-29-36-22-12-4-13-23-36)41(56-28-35-20-10-3-11-21-35)40(55-27-34-18-8-2-9-19-34)38(58-46)30-54-26-33-16-6-1-7-17-33;1-41(58-59(51,52)42(44,45)46)37(56-25-32-20-12-5-13-21-32)36(55-24-31-18-10-4-11-19-31)35(54-23-30-16-8-3-9-17-30)33(26-53-22-29-14-6-2-7-15-29)57-40(41)50-28-49-34-38(43)47-27-48-39(34)50;1-41(47-48-43)37(53-25-32-20-12-5-13-21-32)36(52-24-31-18-10-4-11-19-31)35(51-23-30-16-8-3-9-17-30)33(26-50-22-29-14-6-2-7-15-29)54-40(41)49-28-46-34-38(42)44-27-45-39(34)49;1-41(47)37(51-25-32-20-12-5-13-21-32)36(50-24-31-18-10-4-11-19-31)35(49-23-30-16-8-3-9-17-30)33(26-48-22-29-14-6-2-7-15-29)52-40(41)46-28-45-34-38(42)43-27-44-39(34)46;1-41(48-50-43)37(55-25-32-20-12-5-13-21-32)36(54-24-31-18-10-4-11-19-31)35(53-23-30-16-8-3-9-17-30)33(26-52-22-29-14-6-2-7-15-29)56-40(41)51-28-46-34-38(47-49-42)44-27-45-39(34)51;41-38-33-39(43-26-42-38)45(27-44-33)40-34(46)36(49-23-30-17-9-3-10-18-30)37(50-24-31-19-11-4-12-20-31)35(48-22-29-15-7-2-8-16-29)32(51-40)25-47-21-28-13-5-1-6-14-28;1-13(19-20-15)9(25)8(24)7(23)5(2-22)26-12(13)21-4-18-6-10(14)16-3-17-11(6)21;1-13(20-22-15)9(27)8(26)7(25)5(2-24)28-12(13)23-4-18-6-10(19-21-14)16-3-17-11(6)23;1-13(19-20-15)9(25)8(24)7(23)5(2-22)26-12(13)21-4-18-6-10(14)16-3-17-11(6)21;1-13(15)9(23)8(22)7(21)5(2-20)24-12(13)19-4-18-6-10(14)16-3-17-11(6)19/h1-25,31-32,38,40-43,46H,26-30H2;2-21,27-28,33,35-37,40H,22-26H2,1H3;2-21,27-28,33,35-37,40H,22-26H2,1H3;2-21,27-28,33,35-37,40,47H,22-26H2,1H3;2-21,27-28,33,35-37,40H,22-26H2,1H3;1-20,26-27,32,34-37,40,46H,21-25H2;3-5,7-9,12,22-25H,2H2,1H3;3-5,7-9,12,24-27H,2H2,1H3;3-5,7-9,12,22-25H,2H2,1H3,(H2,14,16,17);3-5,7-9,12,20-23H,2,15H2,1H3,(H2,14,16,17)/t38-,40-,41+,42-,43-,46-;2*33-,35-,36+,37-,40-,41-;33-,35-,36+,37-,40-,41+;33-,35-,36+,37-,40-,41-;32-,34-,35-,36+,37+,40-;4*5-,7-,8+,9-,12-,13-/m1111111111/s1.
What are the key properties of (2R,3S,4R,5S,6R,7R)-6-amino-7-(6-aminopurin-9-yl)-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;(2R,3S,4R,5S,6R,7R)-7-(6-aminopurin-9-yl)-6-azido-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;6-azido-9-[(2R,3R,4S,5R,6R,7R)-3-azido-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-2-yl]purine;(2R,3S,4R,5S,6R,7R)-6-azido-7-(6-azidopurin-9-yl)-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;(2R,3S,4R,5S,6R,7R)-6-azido-7-(6-chloropurin-9-yl)-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;9-[(2R,3R,4S,5R,6R,7R)-3-azido-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-2-yl]-6-chloropurine;(2R,3S,4R,5S,6R,7R)-2-(6-chloropurin-9-yl)-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-ol;[(2R,3R,4R,5S,6R,7R)-2-(6-chloropurin-9-yl)-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-yl] trifluoromethanesulfonate;(2R,3R,4S,5R,6R,7R)-2-(6-chloropurin-9-yl)-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-ol;[(2R,3R,4R,5S,6R,7R)-2-(6-chloropurin-9-yl)-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-yl] benzoate?
(2R,3S,4R,5S,6R,7R)-6-amino-7-(6-aminopurin-9-yl)-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;(2R,3S,4R,5S,6R,7R)-7-(6-aminopurin-9-yl)-6-azido-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;6-azido-9-[(2R,3R,4S,5R,6R,7R)-3-azido-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-2-yl]purine;(2R,3S,4R,5S,6R,7R)-6-azido-7-(6-azidopurin-9-yl)-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;(2R,3S,4R,5S,6R,7R)-6-azido-7-(6-chloropurin-9-yl)-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;9-[(2R,3R,4S,5R,6R,7R)-3-azido-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-2-yl]-6-chloropurine;(2R,3S,4R,5S,6R,7R)-2-(6-chloropurin-9-yl)-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-ol;[(2R,3R,4R,5S,6R,7R)-2-(6-chloropurin-9-yl)-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-yl] trifluoromethanesulfonate;(2R,3R,4S,5R,6R,7R)-2-(6-chloropurin-9-yl)-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-ol;[(2R,3R,4R,5S,6R,7R)-2-(6-chloropurin-9-yl)-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-yl] benzoate has a molecular weight of 6077.02 g/mol, XLogP of 42.37, 103 rotatable bonds, 21 hydrogen bond donors, and 107 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S,6R,7R)-6-amino-7-(6-aminopurin-9-yl)-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;(2R,3S,4R,5S,6R,7R)-7-(6-aminopurin-9-yl)-6-azido-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;6-azido-9-[(2R,3R,4S,5R,6R,7R)-3-azido-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-2-yl]purine;(2R,3S,4R,5S,6R,7R)-6-azido-7-(6-azidopurin-9-yl)-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;(2R,3S,4R,5S,6R,7R)-6-azido-7-(6-chloropurin-9-yl)-2-(hydroxymethyl)-6-methyloxepane-3,4,5-triol;9-[(2R,3R,4S,5R,6R,7R)-3-azido-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-2-yl]-6-chloropurine;(2R,3S,4R,5S,6R,7R)-2-(6-chloropurin-9-yl)-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-ol;[(2R,3R,4R,5S,6R,7R)-2-(6-chloropurin-9-yl)-3-methyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-yl] trifluoromethanesulfonate;(2R,3R,4S,5R,6R,7R)-2-(6-chloropurin-9-yl)-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-ol;[(2R,3R,4R,5S,6R,7R)-2-(6-chloropurin-9-yl)-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-yl] benzoate is sourced from PubChem (CID 157088047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).