cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[chloro(methyl)phosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3,4-dimethyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;9-[(2R,3R,4S,5R)-3,5-difluoro-5-(iodomethyl)-3,4-dimethyloxolan-2-yl]-6-ethoxy-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine;6-ethoxy-9-[(2R,3R,4S,5S)-5-ethyl-3,5-difluoro-3,4-dimethyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine;[(2R,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3,4-dimethyloxolan-2-yl]methanol;(2R,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-2-(iodomethyl)-4-methyloxolan-3-ol

C275H323ClF16I2N45O50P5 — CID 159716121

IUPACcyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[chloro(methyl)phosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3,4-dimethyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;9-[(2R,3R,4S,5R)-3,5-difluoro-5-(iodomethyl)-3,4-dimethyloxolan-2-yl]-6-ethoxy-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine;6-ethoxy-9-[(2R,3R,4S,5S)-5-ethyl-3,5-difluoro-3,4-dimethyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine;[(2R,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3,4-dimethyloxolan-2-yl]methanol;(2R,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-2-(iodomethyl)-4-methyloxolan-3-ol
SMILESCCOc1nc(N)nc2c1ncn2[C@@H]1O[C@](F)(OO[P@@](C)(=O)N[C@@H](C)C(=O)OC2CCCCC2)[C@@H](O)[C@@]1(C)F.CCOc1nc(N)nc2c1ncn2[C@@H]1O[C@](F)(OO[P@](C)(=O)N[C@@H](C)C(=O)OC2CCCCC2)[C@@H](O)[C@@]1(C)F.CCOc1nc(NC(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)nc2c1ncn2[C@@H]1O[C@](F)(CC)[C@@H](C)[C@@]1(C)F.CCOc1nc(NC(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)nc2c1ncn2[C@@H]1O[C@](F)(CI)[C@@H](C)[C@@]1(C)F.CCOc1nc(NC(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)nc2c1ncn2[C@@H]1O[C@](F)(CI)[C@@H](O)[C@@]1(C)F.CCOc1nc(NC(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)nc2c1ncn2[C@@H]1O[C@](F)(CO)[C@@H](C)[C@@]1(C)F.CCOc1nc(NC(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)nc2c1ncn2[C@@H]1O[C@](F)(OOP(C)(=O)N[C@@H](C)C(=O)OC2CCCCC2)[C@@H](C)[C@@]1(C)F.CCOc1nc(NC(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)nc2c1ncn2[C@@H]1O[C@](F)(OOP(C)(=O)N[C@@H](C)C(=O)OC2CCCCC2)[C@@H](O)[C@@]1(C)F.C[C@H](NP(C)(=O)Cl)C(=O)OC1CCCCC1
InChIInChI=1S/C43H51F2N6O8P.C42H49F2N6O9P.C35H37F2N5O3.C34H34F2IN5O3.C34H35F2N5O4.C33H32F2IN5O4.2C22H33F2N6O8P.C10H19ClNO3P/c1-7-55-37-35-36(47-40(48-37)49-42(30-17-11-8-12-18-30,31-19-13-9-14-20-31)32-23-25-33(54-5)26-24-32)51(27-46-35)39-41(4,44)29(3)43(45,57-39)58-59-60(6,53)50-28(2)38(52)56-34-21-15-10-16-22-34;1-6-55-35-33-34(46-39(47-35)48-41(28-16-10-7-11-17-28,29-18-12-8-13-19-29)30-22-24-31(54-4)25-23-30)50(26-45-33)38-40(3,43)37(52)42(44,57-38)58-59-60(5,53)49-27(2)36(51)56-32-20-14-9-15-21-32;1-6-34(37)23(3)33(4,36)31(45-34)42-22-38-28-29(42)39-32(40-30(28)44-7-2)41-35(24-14-10-8-11-15-24,25-16-12-9-13-17-25)26-18-20-27(43-5)21-19-26;1-5-44-29-27-28(42(21-38-27)30-32(3,35)22(2)33(36,20-37)45-30)39-31(40-29)41-34(23-12-8-6-9-13-23,24-14-10-7-11-15-24)25-16-18-26(43-4)19-17-25;1-5-44-29-27-28(41(21-37-27)30-32(3,35)22(2)33(36,20-42)45-30)38-31(39-29)40-34(23-12-8-6-9-13-23,24-14-10-7-11-15-24)25-16-18-26(43-4)19-17-25;1-4-44-27-25-26(41(20-37-25)29-31(2,34)28(42)32(35,19-36)45-29)38-30(39-27)40-33(21-11-7-5-8-12-21,22-13-9-6-10-14-22)23-15-17-24(43-3)18-16-23;2*1-5-34-16-14-15(27-20(25)28-16)30(11-26-14)19-21(3,23)18(32)22(24,36-19)37-38-39(4,33)29-12(2)17(31)35-13-9-7-6-8-10-13;1-8(12-16(2,11)14)10(13)15-9-6-4-3-5-7-9/h8-9,11-14,17-20,23-29,34,39H,7,10,15-16,21-22H2,1-6H3,(H,50,53)(H,47,48,49);7-8,10-13,16-19,22-27,32,37-38,52H,6,9,14-15,20-21H2,1-5H3,(H,49,53)(H,46,47,48);8-23,31H,6-7H2,1-5H3,(H,39,40,41);6-19,21-22,30H,5,20H2,1-4H3,(H,39,40,41);6-19,21-22,30,42H,5,20H2,1-4H3,(H,38,39,40);5-18,20,28-29,42H,4,19H2,1-3H3,(H,38,39,40);2*11-13,18-19,32H,5-10H2,1-4H3,(H,29,33)(H2,25,27,28);8-9H,3-7H2,1-2H3,(H,12,14)/t28-,29-,39+,41+,43-,60?;27-,37-,38+,40+,42-,60?;23-,31+,33+,34+;2*22-,30+,32+,33+;28-,29+,31+,32+;12-,18-,19+,21+,22-,39+;12-,18-,19+,21+,22-,39-;8-,16?/m000000000/s1
InChIKeyMZLKSMRZNHKDPX-ILZMQTBDSA-N
MW5806.97 g/mol
LogP52.32
Rot. Bonds96

About cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[chloro(methyl)phosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3,4-dimethyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;9-[(2R,3R,4S,5R)-3,5-difluoro-5-(iodomethyl)-3,4-dimethyloxolan-2-yl]-6-ethoxy-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine;6-ethoxy-9-[(2R,3R,4S,5S)-5-ethyl-3,5-difluoro-3,4-dimethyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine;[(2R,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3,4-dimethyloxolan-2-yl]methanol;(2R,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-2-(iodomethyl)-4-methyloxolan-3-ol

cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[chloro(methyl)phosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3,4-dimethyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;9-[(2R,3R,4S,5R)-3,5-difluoro-5-(iodomethyl)-3,4-dimethyloxolan-2-yl]-6-ethoxy-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine;6-ethoxy-9-[(2R,3R,4S,5S)-5-ethyl-3,5-difluoro-3,4-dimethyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine;[(2R,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3,4-dimethyloxolan-2-yl]methanol;(2R,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-2-(iodomethyl)-4-methyloxolan-3-ol (PubChem CID 159716121) has the molecular formula C275H323ClF16I2N45O50P5 and a molecular weight of 5806.97 g/mol. Its IUPAC name is cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[chloro(methyl)phosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3,4-dimethyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;9-[(2R,3R,4S,5R)-3,5-difluoro-5-(iodomethyl)-3,4-dimethyloxolan-2-yl]-6-ethoxy-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine;6-ethoxy-9-[(2R,3R,4S,5S)-5-ethyl-3,5-difluoro-3,4-dimethyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine;[(2R,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3,4-dimethyloxolan-2-yl]methanol;(2R,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-2-(iodomethyl)-4-methyloxolan-3-ol.

Molecular Properties

Compound Namecyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[chloro(methyl)phosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3,4-dimethyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;9-[(2R,3R,4S,5R)-3,5-difluoro-5-(iodomethyl)-3,4-dimethyloxolan-2-yl]-6-ethoxy-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine;6-ethoxy-9-[(2R,3R,4S,5S)-5-ethyl-3,5-difluoro-3,4-dimethyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine;[(2R,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3,4-dimethyloxolan-2-yl]methanol;(2R,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-2-(iodomethyl)-4-methyloxolan-3-ol
PubChem CID159716121
Molecular FormulaC275H323ClF16I2N45O50P5
Molecular Weight5806.97 g/mol
Exact Mass5803.03
IUPAC Namecyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[chloro(methyl)phosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3,4-dimethyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;9-[(2R,3R,4S,5R)-3,5-difluoro-5-(iodomethyl)-3,4-dimethyloxolan-2-yl]-6-ethoxy-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine;6-ethoxy-9-[(2R,3R,4S,5S)-5-ethyl-3,5-difluoro-3,4-dimethyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine;[(2R,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3,4-dimethyloxolan-2-yl]methanol;(2R,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-2-(iodomethyl)-4-methyloxolan-3-ol
SMILESCCOc1nc(N)nc2c1ncn2[C@@H]1O[C@](F)(OO[P@@](C)(=O)N[C@@H](C)C(=O)OC2CCCCC2)[C@@H](O)[C@@]1(C)F.CCOc1nc(N)nc2c1ncn2[C@@H]1O[C@](F)(OO[P@](C)(=O)N[C@@H](C)C(=O)OC2CCCCC2)[C@@H](O)[C@@]1(C)F.CCOc1nc(NC(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)nc2c1ncn2[C@@H]1O[C@](F)(CC)[C@@H](C)[C@@]1(C)F.CCOc1nc(NC(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)nc2c1ncn2[C@@H]1O[C@](F)(CI)[C@@H](C)[C@@]1(C)F.CCOc1nc(NC(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)nc2c1ncn2[C@@H]1O[C@](F)(CI)[C@@H](O)[C@@]1(C)F.CCOc1nc(NC(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)nc2c1ncn2[C@@H]1O[C@](F)(CO)[C@@H](C)[C@@]1(C)F.CCOc1nc(NC(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)nc2c1ncn2[C@@H]1O[C@](F)(OOP(C)(=O)N[C@@H](C)C(=O)OC2CCCCC2)[C@@H](C)[C@@]1(C)F.CCOc1nc(NC(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)nc2c1ncn2[C@@H]1O[C@](F)(OOP(C)(=O)N[C@@H](C)C(=O)OC2CCCCC2)[C@@H](O)[C@@]1(C)F.C[C@H](NP(C)(=O)Cl)C(=O)OC1CCCCC1
InChIInChI=1S/C43H51F2N6O8P.C42H49F2N6O9P.C35H37F2N5O3.C34H34F2IN5O3.C34H35F2N5O4.C33H32F2IN5O4.2C22H33F2N6O8P.C10H19ClNO3P/c1-7-55-37-35-36(47-40(48-37)49-42(30-17-11-8-12-18-30,31-19-13-9-14-20-31)32-23-25-33(54-5)26-24-32)51(27-46-35)39-41(4,44)29(3)43(45,57-39)58-59-60(6,53)50-28(2)38(52)56-34-21-15-10-16-22-34;1-6-55-35-33-34(46-39(47-35)48-41(28-16-10-7-11-17-28,29-18-12-8-13-19-29)30-22-24-31(54-4)25-23-30)50(26-45-33)38-40(3,43)37(52)42(44,57-38)58-59-60(5,53)49-27(2)36(51)56-32-20-14-9-15-21-32;1-6-34(37)23(3)33(4,36)31(45-34)42-22-38-28-29(42)39-32(40-30(28)44-7-2)41-35(24-14-10-8-11-15-24,25-16-12-9-13-17-25)26-18-20-27(43-5)21-19-26;1-5-44-29-27-28(42(21-38-27)30-32(3,35)22(2)33(36,20-37)45-30)39-31(40-29)41-34(23-12-8-6-9-13-23,24-14-10-7-11-15-24)25-16-18-26(43-4)19-17-25;1-5-44-29-27-28(41(21-37-27)30-32(3,35)22(2)33(36,20-42)45-30)38-31(39-29)40-34(23-12-8-6-9-13-23,24-14-10-7-11-15-24)25-16-18-26(43-4)19-17-25;1-4-44-27-25-26(41(20-37-25)29-31(2,34)28(42)32(35,19-36)45-29)38-30(39-27)40-33(21-11-7-5-8-12-21,22-13-9-6-10-14-22)23-15-17-24(43-3)18-16-23;2*1-5-34-16-14-15(27-20(25)28-16)30(11-26-14)19-21(3,23)18(32)22(24,36-19)37-38-39(4,33)29-12(2)17(31)35-13-9-7-6-8-10-13;1-8(12-16(2,11)14)10(13)15-9-6-4-3-5-7-9/h8-9,11-14,17-20,23-29,34,39H,7,10,15-16,21-22H2,1-6H3,(H,50,53)(H,47,48,49);7-8,10-13,16-19,22-27,32,37-38,52H,6,9,14-15,20-21H2,1-5H3,(H,49,53)(H,46,47,48);8-23,31H,6-7H2,1-5H3,(H,39,40,41);6-19,21-22,30H,5,20H2,1-4H3,(H,39,40,41);6-19,21-22,30,42H,5,20H2,1-4H3,(H,38,39,40);5-18,20,28-29,42H,4,19H2,1-3H3,(H,38,39,40);2*11-13,18-19,32H,5-10H2,1-4H3,(H,29,33)(H2,25,27,28);8-9H,3-7H2,1-2H3,(H,12,14)/t28-,29-,39+,41+,43-,60?;27-,37-,38+,40+,42-,60?;23-,31+,33+,34+;2*22-,30+,32+,33+;28-,29+,31+,32+;12-,18-,19+,21+,22-,39+;12-,18-,19+,21+,22-,39-;8-,16?/m000000000/s1
InChIKeyMZLKSMRZNHKDPX-ILZMQTBDSA-N
XLogP52.32
TPSA1128.07 Ų
H-Bond Donors18
H-Bond Acceptors90
Rotatable Bonds96
Heavy Atoms394
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005806.97
LogP ≤ 552.32
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1090

Analyze cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[chloro(methyl)phosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3,4-dimethyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;9-[(2R,3R,4S,5R)-3,5-difluoro-5-(iodomethyl)-3,4-dimethyloxolan-2-yl]-6-ethoxy-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine;6-ethoxy-9-[(2R,3R,4S,5S)-5-ethyl-3,5-difluoro-3,4-dimethyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine;[(2R,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3,4-dimethyloxolan-2-yl]methanol;(2R,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-2-(iodomethyl)-4-methyloxolan-3-ol with MolForge

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Related Compounds

cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2R,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;9-[(2R,3R,4S,5R)-3,5-difluoro-5-(iodomethyl)-3,4-dimethyloxolan-2-yl]-6-ethoxy-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine;6-ethoxy-9-[(2R,3R,4S,5S)-5-ethyl-3,5-difluoro-3,4-dimethyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine;[(2R,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3,4-dimethyloxolan-2-yl]methanol
CID 161128505
(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2-ethyl-4-ethynyl-2,4-difluorooxolan-3-ol;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2R,3S,4S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-ethynyl-2,4-difluoro-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;bis(cyclohexyl (2S)-2-aminopropanoate);bis(6-ethoxy-9-[(2R,3S,4S,5S)-5-ethyl-3-ethynyl-3,5-difluoro-4-methyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine);6-ethoxy-9-[(2R,3S,4S,5R)-3-ethynyl-3,5-difluoro-5-(iodomethyl)-4-methyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine;(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-2-(hydroxymethyl)oxolan-3-ol;[(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-methyl-oxophosphanium;(2R,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-2-(iodomethyl)oxolan-3-ol;[(2R,3S,4S,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-3-methyloxolan-2-yl]methanol;[(2R,3S,4S,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-3-methyloxolan-2-yl]methoxy-methyl-oxophosphanium
CID 158041945
cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate
CID 118672994
(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2-ethyl-4-ethynyl-2,4-difluorooxolan-3-ol;bis([(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-methyl-oxophosphanium);tetrakis(cyclohexyl (2S)-2-aminopropanoate);bis(6-ethoxy-9-[(2R,3S,4S,5S)-5-ethyl-3-ethynyl-3,5-difluoro-4-methyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine);(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-2-(hydroxymethyl)oxolan-3-ol;[(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-methyl-oxophosphanium;[(2R,3S,4S,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-3-methyloxolan-2-yl]methanol;[(2R,3S,4S,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-3-methyloxolan-2-yl]methoxy-methyl-oxophosphanium
CID 159850694
chloro(naphthalen-1-yloxy)phosphinic acid;dichlorophosphinic acid;[(2R,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3,4-dimethyloxolan-2-yl]methanol;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[chloro(naphthalen-1-yloxy)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3,4-dimethyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate
CID 161357820
cyclohexyl (2S)-2-[[[(2S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 129152330
2,2-dimethylpropyl (2S)-2-[[[(2R,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 90251570
(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2-ethyl-2-fluoro-4-methyloxolane-3,4-diol
CID 118683031
cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]methylamino]propanoate
CID 137454095
[(2S,3S,4R,5R)-3-benzoyloxy-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-4-methyloxolan-2-yl]methyl benzoate
CID 90248045
cyclohexyl 2-[[[(1S,3R,4R,5R)-3-(2-amino-6-ethoxypurin-9-yl)-1,4-difluoro-5-hydroxy-4-methyl-2-oxabicyclo[3.1.0]hexan-6-yl]oxy-phenoxyphosphoryl]amino]propanoate
CID 144985532
(2S,3S,4R,5R)-5-[2-amino-6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 134249624

Frequently Asked Questions

What is the IUPAC name of cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[chloro(methyl)phosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3,4-dimethyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;9-[(2R,3R,4S,5R)-3,5-difluoro-5-(iodomethyl)-3,4-dimethyloxolan-2-yl]-6-ethoxy-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine;6-ethoxy-9-[(2R,3R,4S,5S)-5-ethyl-3,5-difluoro-3,4-dimethyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine;[(2R,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3,4-dimethyloxolan-2-yl]methanol;(2R,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-2-(iodomethyl)-4-methyloxolan-3-ol?
The IUPAC name of cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[chloro(methyl)phosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3,4-dimethyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;9-[(2R,3R,4S,5R)-3,5-difluoro-5-(iodomethyl)-3,4-dimethyloxolan-2-yl]-6-ethoxy-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine;6-ethoxy-9-[(2R,3R,4S,5S)-5-ethyl-3,5-difluoro-3,4-dimethyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine;[(2R,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3,4-dimethyloxolan-2-yl]methanol;(2R,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-2-(iodomethyl)-4-methyloxolan-3-ol (CID 159716121) is cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[chloro(methyl)phosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3,4-dimethyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;9-[(2R,3R,4S,5R)-3,5-difluoro-5-(iodomethyl)-3,4-dimethyloxolan-2-yl]-6-ethoxy-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine;6-ethoxy-9-[(2R,3R,4S,5S)-5-ethyl-3,5-difluoro-3,4-dimethyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine;[(2R,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3,4-dimethyloxolan-2-yl]methanol;(2R,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-2-(iodomethyl)-4-methyloxolan-3-ol.
What is the SMILES notation for cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[chloro(methyl)phosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3,4-dimethyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;9-[(2R,3R,4S,5R)-3,5-difluoro-5-(iodomethyl)-3,4-dimethyloxolan-2-yl]-6-ethoxy-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine;6-ethoxy-9-[(2R,3R,4S,5S)-5-ethyl-3,5-difluoro-3,4-dimethyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine;[(2R,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3,4-dimethyloxolan-2-yl]methanol;(2R,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-2-(iodomethyl)-4-methyloxolan-3-ol?
The canonical SMILES for cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[chloro(methyl)phosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3,4-dimethyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;9-[(2R,3R,4S,5R)-3,5-difluoro-5-(iodomethyl)-3,4-dimethyloxolan-2-yl]-6-ethoxy-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine;6-ethoxy-9-[(2R,3R,4S,5S)-5-ethyl-3,5-difluoro-3,4-dimethyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine;[(2R,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3,4-dimethyloxolan-2-yl]methanol;(2R,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-2-(iodomethyl)-4-methyloxolan-3-ol is CCOc1nc(N)nc2c1ncn2[C@@H]1O[C@](F)(OO[P@@](C)(=O)N[C@@H](C)C(=O)OC2CCCCC2)[C@@H](O)[C@@]1(C)F.CCOc1nc(N)nc2c1ncn2[C@@H]1O[C@](F)(OO[P@](C)(=O)N[C@@H](C)C(=O)OC2CCCCC2)[C@@H](O)[C@@]1(C)F.CCOc1nc(NC(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)nc2c1ncn2[C@@H]1O[C@](F)(CC)[C@@H](C)[C@@]1(C)F.CCOc1nc(NC(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)nc2c1ncn2[C@@H]1O[C@](F)(CI)[C@@H](C)[C@@]1(C)F.CCOc1nc(NC(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)nc2c1ncn2[C@@H]1O[C@](F)(CI)[C@@H](O)[C@@]1(C)F.CCOc1nc(NC(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)nc2c1ncn2[C@@H]1O[C@](F)(CO)[C@@H](C)[C@@]1(C)F.CCOc1nc(NC(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)nc2c1ncn2[C@@H]1O[C@](F)(OOP(C)(=O)N[C@@H](C)C(=O)OC2CCCCC2)[C@@H](C)[C@@]1(C)F.CCOc1nc(NC(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)nc2c1ncn2[C@@H]1O[C@](F)(OOP(C)(=O)N[C@@H](C)C(=O)OC2CCCCC2)[C@@H](O)[C@@]1(C)F.C[C@H](NP(C)(=O)Cl)C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[chloro(methyl)phosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3,4-dimethyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;9-[(2R,3R,4S,5R)-3,5-difluoro-5-(iodomethyl)-3,4-dimethyloxolan-2-yl]-6-ethoxy-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine;6-ethoxy-9-[(2R,3R,4S,5S)-5-ethyl-3,5-difluoro-3,4-dimethyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine;[(2R,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3,4-dimethyloxolan-2-yl]methanol;(2R,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-2-(iodomethyl)-4-methyloxolan-3-ol?
The InChIKey is MZLKSMRZNHKDPX-ILZMQTBDSA-N. The full InChI is InChI=1S/C43H51F2N6O8P.C42H49F2N6O9P.C35H37F2N5O3.C34H34F2IN5O3.C34H35F2N5O4.C33H32F2IN5O4.2C22H33F2N6O8P.C10H19ClNO3P/c1-7-55-37-35-36(47-40(48-37)49-42(30-17-11-8-12-18-30,31-19-13-9-14-20-31)32-23-25-33(54-5)26-24-32)51(27-46-35)39-41(4,44)29(3)43(45,57-39)58-59-60(6,53)50-28(2)38(52)56-34-21-15-10-16-22-34;1-6-55-35-33-34(46-39(47-35)48-41(28-16-10-7-11-17-28,29-18-12-8-13-19-29)30-22-24-31(54-4)25-23-30)50(26-45-33)38-40(3,43)37(52)42(44,57-38)58-59-60(5,53)49-27(2)36(51)56-32-20-14-9-15-21-32;1-6-34(37)23(3)33(4,36)31(45-34)42-22-38-28-29(42)39-32(40-30(28)44-7-2)41-35(24-14-10-8-11-15-24,25-16-12-9-13-17-25)26-18-20-27(43-5)21-19-26;1-5-44-29-27-28(42(21-38-27)30-32(3,35)22(2)33(36,20-37)45-30)39-31(40-29)41-34(23-12-8-6-9-13-23,24-14-10-7-11-15-24)25-16-18-26(43-4)19-17-25;1-5-44-29-27-28(41(21-37-27)30-32(3,35)22(2)33(36,20-42)45-30)38-31(39-29)40-34(23-12-8-6-9-13-23,24-14-10-7-11-15-24)25-16-18-26(43-4)19-17-25;1-4-44-27-25-26(41(20-37-25)29-31(2,34)28(42)32(35,19-36)45-29)38-30(39-27)40-33(21-11-7-5-8-12-21,22-13-9-6-10-14-22)23-15-17-24(43-3)18-16-23;2*1-5-34-16-14-15(27-20(25)28-16)30(11-26-14)19-21(3,23)18(32)22(24,36-19)37-38-39(4,33)29-12(2)17(31)35-13-9-7-6-8-10-13;1-8(12-16(2,11)14)10(13)15-9-6-4-3-5-7-9/h8-9,11-14,17-20,23-29,34,39H,7,10,15-16,21-22H2,1-6H3,(H,50,53)(H,47,48,49);7-8,10-13,16-19,22-27,32,37-38,52H,6,9,14-15,20-21H2,1-5H3,(H,49,53)(H,46,47,48);8-23,31H,6-7H2,1-5H3,(H,39,40,41);6-19,21-22,30H,5,20H2,1-4H3,(H,39,40,41);6-19,21-22,30,42H,5,20H2,1-4H3,(H,38,39,40);5-18,20,28-29,42H,4,19H2,1-3H3,(H,38,39,40);2*11-13,18-19,32H,5-10H2,1-4H3,(H,29,33)(H2,25,27,28);8-9H,3-7H2,1-2H3,(H,12,14)/t28-,29-,39+,41+,43-,60?;27-,37-,38+,40+,42-,60?;23-,31+,33+,34+;2*22-,30+,32+,33+;28-,29+,31+,32+;12-,18-,19+,21+,22-,39+;12-,18-,19+,21+,22-,39-;8-,16?/m000000000/s1.
What are the key properties of cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[chloro(methyl)phosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3,4-dimethyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;9-[(2R,3R,4S,5R)-3,5-difluoro-5-(iodomethyl)-3,4-dimethyloxolan-2-yl]-6-ethoxy-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine;6-ethoxy-9-[(2R,3R,4S,5S)-5-ethyl-3,5-difluoro-3,4-dimethyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine;[(2R,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3,4-dimethyloxolan-2-yl]methanol;(2R,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-2-(iodomethyl)-4-methyloxolan-3-ol?
cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[chloro(methyl)phosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3,4-dimethyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;9-[(2R,3R,4S,5R)-3,5-difluoro-5-(iodomethyl)-3,4-dimethyloxolan-2-yl]-6-ethoxy-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine;6-ethoxy-9-[(2R,3R,4S,5S)-5-ethyl-3,5-difluoro-3,4-dimethyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine;[(2R,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3,4-dimethyloxolan-2-yl]methanol;(2R,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-2-(iodomethyl)-4-methyloxolan-3-ol has a molecular weight of 5806.97 g/mol, XLogP of 52.32, 96 rotatable bonds, 18 hydrogen bond donors, and 90 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[chloro(methyl)phosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3,4-dimethyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]peroxy-methylphosphoryl]amino]propanoate;9-[(2R,3R,4S,5R)-3,5-difluoro-5-(iodomethyl)-3,4-dimethyloxolan-2-yl]-6-ethoxy-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine;6-ethoxy-9-[(2R,3R,4S,5S)-5-ethyl-3,5-difluoro-3,4-dimethyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine;[(2R,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-3,4-dimethyloxolan-2-yl]methanol;(2R,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-2,4-difluoro-2-(iodomethyl)-4-methyloxolan-3-ol is sourced from PubChem (CID 159716121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).