cyclohexyl 2-[[[(2S,3S,4S,5R)-5-(2-acetamido-6-ethoxypurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4S,5R)-2,3-difluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2,2-dimethylpropyl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

C189H247F14N32O57P7 — CID 158337003

IUPACcyclohexyl 2-[[[(2S,3S,4S,5R)-5-(2-acetamido-6-ethoxypurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4S,5R)-2,3-difluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2,2-dimethylpropyl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
SMILESC=C1NC(=O)C=CN1[C@@H]1O[C@](F)(COP(=O)(NC(C)C(=O)OC(C)C)Oc2ccccc2)[C@@H](O)[C@@]1(C)F.C=C1NC(=O)C=CN1[C@@H]1O[C@](F)(COP(=O)(NC(C)C(=O)OC2CCCCC2)Oc2ccccc2)[C@@H](O)[C@@]1(C)F.CCOc1nc(C)nc2c1ncn2[C@@H]1O[C@](F)(COP(=O)(NC(C)C(=O)OC(C)C)Oc2ccccc2)[C@@H](F)[C@@]1(C)O.CCOc1nc(C)nc2c1ncn2[C@@H]1O[C@](F)(COP(=O)(NC(C)C(=O)OC2CCCCC2)Oc2ccccc2)[C@@H](F)[C@@]1(C)O.CCOc1nc(C)nc2c1ncn2[C@@H]1O[C@](F)(COP(=O)(NC(C)C(=O)OCC(C)(C)C)Oc2ccccc2)[C@@H](F)[C@@]1(C)O.CCOc1nc(NC(C)=O)nc2c1ncn2[C@@H]1O[C@](F)(COP(=O)(NC(C)C(=O)OC2CCCCC2)Oc2ccccc2)[C@@H](F)[C@@]1(C)O.Cc1nc2c(ncn2[C@@H]2O[C@](F)(COP(=O)(NC(C)C(=O)OC3CCCCC3)Oc3ccccc3)[C@@H](F)[C@@]2(C)O)c(=O)[nH]1
InChIInChI=1S/C30H39F2N6O9P.C29H38F2N5O8P.C28H38F2N5O8P.C27H34F2N5O8P.C26H34F2N5O8P.C26H34F2N3O8P.C23H30F2N3O8P/c1-5-43-24-22-23(35-28(36-24)34-19(3)39)38(17-33-22)27-29(4,41)26(31)30(32,46-27)16-44-48(42,47-21-14-10-7-11-15-21)37-18(2)25(40)45-20-12-8-6-9-13-20;1-5-40-24-22-23(33-19(3)34-24)36(17-32-22)27-28(4,38)26(30)29(31,43-27)16-41-45(39,44-21-14-10-7-11-15-21)35-18(2)25(37)42-20-12-8-6-9-13-20;1-8-39-22-20-21(32-18(3)33-22)35(16-31-20)25-27(7,37)24(29)28(30,42-25)15-41-44(38,43-19-12-10-9-11-13-19)34-17(2)23(36)40-14-26(4,5)6;1-16(23(36)40-18-10-6-4-7-11-18)33-43(38,42-19-12-8-5-9-13-19)39-14-27(29)24(28)26(3,37)25(41-27)34-15-30-20-21(34)31-17(2)32-22(20)35;1-7-37-21-19-20(30-17(5)31-21)33(14-29-19)24-25(6,35)23(27)26(28,40-24)13-38-42(36,41-18-11-9-8-10-12-18)32-16(4)22(34)39-15(2)3;1-17(22(33)37-19-10-6-4-7-11-19)30-40(35,39-20-12-8-5-9-13-20)36-16-26(28)23(34)25(3,27)24(38-26)31-15-14-21(32)29-18(31)2;1-14(2)34-19(30)15(3)27-37(32,36-17-9-7-6-8-10-17)33-13-23(25)20(31)22(5,24)21(35-23)28-12-11-18(29)26-16(28)4/h7,10-11,14-15,17-18,20,26-27,41H,5-6,8-9,12-13,16H2,1-4H3,(H,37,42)(H,34,35,36,39);7,10-11,14-15,17-18,20,26-27,38H,5-6,8-9,12-13,16H2,1-4H3,(H,35,39);9-13,16-17,24-25,37H,8,14-15H2,1-7H3,(H,34,38);5,8-9,12-13,15-16,18,24-25,37H,4,6-7,10-11,14H2,1-3H3,(H,33,38)(H,31,32,35);8-12,14-16,23-24,35H,7,13H2,1-6H3,(H,32,36);5,8-9,12-15,17,19,23-24,34H,2,4,6-7,10-11,16H2,1,3H3,(H,29,32)(H,30,35);6-12,14-15,20-21,31H,4,13H2,1-3,5H3,(H,26,29)(H,27,32)/t18?,26-,27+,29+,30+,48?;18?,26-,27+,28+,29+,45?;17?,24-,25+,27+,28+,44?;16?,24-,25+,26+,27+,43?;16?,23-,24+,25+,26+,42?;17?,23-,24+,25+,26+,40?;15?,20-,21+,22+,23+,37?/m0000000/s1
InChIKeyGQRYMQKMUGMWAO-STDNQMEASA-N
MW4362.01 g/mol
LogP27.93
Rot. Bonds79

About cyclohexyl 2-[[[(2S,3S,4S,5R)-5-(2-acetamido-6-ethoxypurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4S,5R)-2,3-difluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2,2-dimethylpropyl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

cyclohexyl 2-[[[(2S,3S,4S,5R)-5-(2-acetamido-6-ethoxypurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4S,5R)-2,3-difluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2,2-dimethylpropyl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate (PubChem CID 158337003) has the molecular formula C189H247F14N32O57P7 and a molecular weight of 4362.01 g/mol. Its IUPAC name is cyclohexyl 2-[[[(2S,3S,4S,5R)-5-(2-acetamido-6-ethoxypurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4S,5R)-2,3-difluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2,2-dimethylpropyl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate.

Molecular Properties

Compound Namecyclohexyl 2-[[[(2S,3S,4S,5R)-5-(2-acetamido-6-ethoxypurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4S,5R)-2,3-difluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2,2-dimethylpropyl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
PubChem CID158337003
Molecular FormulaC189H247F14N32O57P7
Molecular Weight4362.01 g/mol
Exact Mass4359.54
IUPAC Namecyclohexyl 2-[[[(2S,3S,4S,5R)-5-(2-acetamido-6-ethoxypurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4S,5R)-2,3-difluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2,2-dimethylpropyl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
SMILESC=C1NC(=O)C=CN1[C@@H]1O[C@](F)(COP(=O)(NC(C)C(=O)OC(C)C)Oc2ccccc2)[C@@H](O)[C@@]1(C)F.C=C1NC(=O)C=CN1[C@@H]1O[C@](F)(COP(=O)(NC(C)C(=O)OC2CCCCC2)Oc2ccccc2)[C@@H](O)[C@@]1(C)F.CCOc1nc(C)nc2c1ncn2[C@@H]1O[C@](F)(COP(=O)(NC(C)C(=O)OC(C)C)Oc2ccccc2)[C@@H](F)[C@@]1(C)O.CCOc1nc(C)nc2c1ncn2[C@@H]1O[C@](F)(COP(=O)(NC(C)C(=O)OC2CCCCC2)Oc2ccccc2)[C@@H](F)[C@@]1(C)O.CCOc1nc(C)nc2c1ncn2[C@@H]1O[C@](F)(COP(=O)(NC(C)C(=O)OCC(C)(C)C)Oc2ccccc2)[C@@H](F)[C@@]1(C)O.CCOc1nc(NC(C)=O)nc2c1ncn2[C@@H]1O[C@](F)(COP(=O)(NC(C)C(=O)OC2CCCCC2)Oc2ccccc2)[C@@H](F)[C@@]1(C)O.Cc1nc2c(ncn2[C@@H]2O[C@](F)(COP(=O)(NC(C)C(=O)OC3CCCCC3)Oc3ccccc3)[C@@H](F)[C@@]2(C)O)c(=O)[nH]1
InChIInChI=1S/C30H39F2N6O9P.C29H38F2N5O8P.C28H38F2N5O8P.C27H34F2N5O8P.C26H34F2N5O8P.C26H34F2N3O8P.C23H30F2N3O8P/c1-5-43-24-22-23(35-28(36-24)34-19(3)39)38(17-33-22)27-29(4,41)26(31)30(32,46-27)16-44-48(42,47-21-14-10-7-11-15-21)37-18(2)25(40)45-20-12-8-6-9-13-20;1-5-40-24-22-23(33-19(3)34-24)36(17-32-22)27-28(4,38)26(30)29(31,43-27)16-41-45(39,44-21-14-10-7-11-15-21)35-18(2)25(37)42-20-12-8-6-9-13-20;1-8-39-22-20-21(32-18(3)33-22)35(16-31-20)25-27(7,37)24(29)28(30,42-25)15-41-44(38,43-19-12-10-9-11-13-19)34-17(2)23(36)40-14-26(4,5)6;1-16(23(36)40-18-10-6-4-7-11-18)33-43(38,42-19-12-8-5-9-13-19)39-14-27(29)24(28)26(3,37)25(41-27)34-15-30-20-21(34)31-17(2)32-22(20)35;1-7-37-21-19-20(30-17(5)31-21)33(14-29-19)24-25(6,35)23(27)26(28,40-24)13-38-42(36,41-18-11-9-8-10-12-18)32-16(4)22(34)39-15(2)3;1-17(22(33)37-19-10-6-4-7-11-19)30-40(35,39-20-12-8-5-9-13-20)36-16-26(28)23(34)25(3,27)24(38-26)31-15-14-21(32)29-18(31)2;1-14(2)34-19(30)15(3)27-37(32,36-17-9-7-6-8-10-17)33-13-23(25)20(31)22(5,24)21(35-23)28-12-11-18(29)26-16(28)4/h7,10-11,14-15,17-18,20,26-27,41H,5-6,8-9,12-13,16H2,1-4H3,(H,37,42)(H,34,35,36,39);7,10-11,14-15,17-18,20,26-27,38H,5-6,8-9,12-13,16H2,1-4H3,(H,35,39);9-13,16-17,24-25,37H,8,14-15H2,1-7H3,(H,34,38);5,8-9,12-13,15-16,18,24-25,37H,4,6-7,10-11,14H2,1-3H3,(H,33,38)(H,31,32,35);8-12,14-16,23-24,35H,7,13H2,1-6H3,(H,32,36);5,8-9,12-15,17,19,23-24,34H,2,4,6-7,10-11,16H2,1,3H3,(H,29,32)(H,30,35);6-12,14-15,20-21,31H,4,13H2,1-3,5H3,(H,26,29)(H,27,32)/t18?,26-,27+,29+,30+,48?;18?,26-,27+,28+,29+,45?;17?,24-,25+,27+,28+,44?;16?,24-,25+,26+,27+,43?;16?,23-,24+,25+,26+,42?;17?,23-,24+,25+,26+,40?;15?,20-,21+,22+,23+,37?/m0000000/s1
InChIKeyGQRYMQKMUGMWAO-STDNQMEASA-N
XLogP27.93
TPSA1091.91 Ų
H-Bond Donors18
H-Bond Acceptors78
Rotatable Bonds79
Heavy Atoms299
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004362.01
LogP ≤ 527.93
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1078

Analyze cyclohexyl 2-[[[(2S,3S,4S,5R)-5-(2-acetamido-6-ethoxypurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4S,5R)-2,3-difluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2,2-dimethylpropyl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate with MolForge

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What is the IUPAC name of cyclohexyl 2-[[[(2S,3S,4S,5R)-5-(2-acetamido-6-ethoxypurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4S,5R)-2,3-difluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2,2-dimethylpropyl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate?
The IUPAC name of cyclohexyl 2-[[[(2S,3S,4S,5R)-5-(2-acetamido-6-ethoxypurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4S,5R)-2,3-difluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2,2-dimethylpropyl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate (CID 158337003) is cyclohexyl 2-[[[(2S,3S,4S,5R)-5-(2-acetamido-6-ethoxypurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4S,5R)-2,3-difluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2,2-dimethylpropyl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate.
What is the SMILES notation for cyclohexyl 2-[[[(2S,3S,4S,5R)-5-(2-acetamido-6-ethoxypurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4S,5R)-2,3-difluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2,2-dimethylpropyl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate?
The canonical SMILES for cyclohexyl 2-[[[(2S,3S,4S,5R)-5-(2-acetamido-6-ethoxypurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4S,5R)-2,3-difluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2,2-dimethylpropyl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate is C=C1NC(=O)C=CN1[C@@H]1O[C@](F)(COP(=O)(NC(C)C(=O)OC(C)C)Oc2ccccc2)[C@@H](O)[C@@]1(C)F.C=C1NC(=O)C=CN1[C@@H]1O[C@](F)(COP(=O)(NC(C)C(=O)OC2CCCCC2)Oc2ccccc2)[C@@H](O)[C@@]1(C)F.CCOc1nc(C)nc2c1ncn2[C@@H]1O[C@](F)(COP(=O)(NC(C)C(=O)OC(C)C)Oc2ccccc2)[C@@H](F)[C@@]1(C)O.CCOc1nc(C)nc2c1ncn2[C@@H]1O[C@](F)(COP(=O)(NC(C)C(=O)OC2CCCCC2)Oc2ccccc2)[C@@H](F)[C@@]1(C)O.CCOc1nc(C)nc2c1ncn2[C@@H]1O[C@](F)(COP(=O)(NC(C)C(=O)OCC(C)(C)C)Oc2ccccc2)[C@@H](F)[C@@]1(C)O.CCOc1nc(NC(C)=O)nc2c1ncn2[C@@H]1O[C@](F)(COP(=O)(NC(C)C(=O)OC2CCCCC2)Oc2ccccc2)[C@@H](F)[C@@]1(C)O.Cc1nc2c(ncn2[C@@H]2O[C@](F)(COP(=O)(NC(C)C(=O)OC3CCCCC3)Oc3ccccc3)[C@@H](F)[C@@]2(C)O)c(=O)[nH]1.
What is the InChIKey of cyclohexyl 2-[[[(2S,3S,4S,5R)-5-(2-acetamido-6-ethoxypurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4S,5R)-2,3-difluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2,2-dimethylpropyl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate?
The InChIKey is GQRYMQKMUGMWAO-STDNQMEASA-N. The full InChI is InChI=1S/C30H39F2N6O9P.C29H38F2N5O8P.C28H38F2N5O8P.C27H34F2N5O8P.C26H34F2N5O8P.C26H34F2N3O8P.C23H30F2N3O8P/c1-5-43-24-22-23(35-28(36-24)34-19(3)39)38(17-33-22)27-29(4,41)26(31)30(32,46-27)16-44-48(42,47-21-14-10-7-11-15-21)37-18(2)25(40)45-20-12-8-6-9-13-20;1-5-40-24-22-23(33-19(3)34-24)36(17-32-22)27-28(4,38)26(30)29(31,43-27)16-41-45(39,44-21-14-10-7-11-15-21)35-18(2)25(37)42-20-12-8-6-9-13-20;1-8-39-22-20-21(32-18(3)33-22)35(16-31-20)25-27(7,37)24(29)28(30,42-25)15-41-44(38,43-19-12-10-9-11-13-19)34-17(2)23(36)40-14-26(4,5)6;1-16(23(36)40-18-10-6-4-7-11-18)33-43(38,42-19-12-8-5-9-13-19)39-14-27(29)24(28)26(3,37)25(41-27)34-15-30-20-21(34)31-17(2)32-22(20)35;1-7-37-21-19-20(30-17(5)31-21)33(14-29-19)24-25(6,35)23(27)26(28,40-24)13-38-42(36,41-18-11-9-8-10-12-18)32-16(4)22(34)39-15(2)3;1-17(22(33)37-19-10-6-4-7-11-19)30-40(35,39-20-12-8-5-9-13-20)36-16-26(28)23(34)25(3,27)24(38-26)31-15-14-21(32)29-18(31)2;1-14(2)34-19(30)15(3)27-37(32,36-17-9-7-6-8-10-17)33-13-23(25)20(31)22(5,24)21(35-23)28-12-11-18(29)26-16(28)4/h7,10-11,14-15,17-18,20,26-27,41H,5-6,8-9,12-13,16H2,1-4H3,(H,37,42)(H,34,35,36,39);7,10-11,14-15,17-18,20,26-27,38H,5-6,8-9,12-13,16H2,1-4H3,(H,35,39);9-13,16-17,24-25,37H,8,14-15H2,1-7H3,(H,34,38);5,8-9,12-13,15-16,18,24-25,37H,4,6-7,10-11,14H2,1-3H3,(H,33,38)(H,31,32,35);8-12,14-16,23-24,35H,7,13H2,1-6H3,(H,32,36);5,8-9,12-15,17,19,23-24,34H,2,4,6-7,10-11,16H2,1,3H3,(H,29,32)(H,30,35);6-12,14-15,20-21,31H,4,13H2,1-3,5H3,(H,26,29)(H,27,32)/t18?,26-,27+,29+,30+,48?;18?,26-,27+,28+,29+,45?;17?,24-,25+,27+,28+,44?;16?,24-,25+,26+,27+,43?;16?,23-,24+,25+,26+,42?;17?,23-,24+,25+,26+,40?;15?,20-,21+,22+,23+,37?/m0000000/s1.
What are the key properties of cyclohexyl 2-[[[(2S,3S,4S,5R)-5-(2-acetamido-6-ethoxypurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4S,5R)-2,3-difluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2,2-dimethylpropyl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate?
cyclohexyl 2-[[[(2S,3S,4S,5R)-5-(2-acetamido-6-ethoxypurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4S,5R)-2,3-difluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2,2-dimethylpropyl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate has a molecular weight of 4362.01 g/mol, XLogP of 27.93, 79 rotatable bonds, 18 hydrogen bond donors, and 78 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-[[[(2S,3S,4S,5R)-5-(2-acetamido-6-ethoxypurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4S,5R)-2,3-difluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2,2-dimethylpropyl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl 2-[[[(2S,3S,4S,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,3-difluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate is sourced from PubChem (CID 158337003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).