2-amino-9-[(2R,3R,4S,5R)-5-(fluoromethyl)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1H-purin-6-one;9-[(2R,3R,4S,5S)-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-methyl-1H-purin-6-one;(2R,3S,4S,5S)-2-(6-ethoxy-2-methylpurin-9-yl)-4,5-difluoro-5-(hydroxymethyl)-3-methyloxolan-3-ol;(2R,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2-(fluoromethyl)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol;9-[(2R,3R,4S,5S)-3-ethynyl-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3S,4S,5S)-3-ethynyl-4,5-difluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4S,5S)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-methyl-1H-purin-6-one

C104H121F12N33O36 — CID 159241523

IUPAC2-amino-9-[(2R,3R,4S,5R)-5-(fluoromethyl)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1H-purin-6-one;9-[(2R,3R,4S,5S)-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-methyl-1H-purin-6-one;(2R,3S,4S,5S)-2-(6-ethoxy-2-methylpurin-9-yl)-4,5-difluoro-5-(hydroxymethyl)-3-methyloxolan-3-ol;(2R,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2-(fluoromethyl)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol;9-[(2R,3R,4S,5S)-3-ethynyl-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3S,4S,5S)-3-ethynyl-4,5-difluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4S,5S)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-methyl-1H-purin-6-one
SMILESC#C[C@]1(F)[C@H](n2cnc3c(=O)[nH]c(C)nc32)O[C@](F)(CO)[C@H]1O.C#C[C@]1(O)[C@H](n2cnc3c(=O)[nH]c(C)nc32)O[C@](F)(CO)[C@H]1F.C#C[C@]1(O)[C@H](n2cnc3c(=O)[nH]c(C)nc32)O[C@](F)(CO)[C@H]1O.CCOc1nc(C)nc2c1ncn2[C@@H]1O[C@@](CO)(CF)[C@@H](O)[C@@]1(C)O.CCOc1nc(C)nc2c1ncn2[C@@H]1O[C@](F)(CO)[C@@H](F)[C@@]1(C)O.C[C@@]1(O)[C@H](O)[C@](CO)(CF)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21.Cc1nc2c(ncn2[C@@H]2O[C@](F)(CO)[C@@H](O)[C@@]2(C)F)c(=O)[nH]1.Cc1nc2c(ncn2[C@@H]2O[C@](F)(CO)[C@@H](O)[C@@]2(C)O)c(=O)[nH]1
InChIInChI=1S/C15H21FN4O5.C14H18F2N4O4.2C13H12F2N4O4.C13H13FN4O5.C12H14F2N4O4.C12H16FN5O5.C12H15FN4O5/c1-4-24-11-9-10(18-8(2)19-11)20(7-17-9)13-14(3,23)12(22)15(5-16,6-21)25-13;1-4-23-10-8-9(18-7(2)19-10)20(6-17-8)12-13(3,22)11(15)14(16,5-21)24-12;1-3-12(14)10(22)13(15,4-20)23-11(12)19-5-16-7-8(19)17-6(2)18-9(7)21;1-3-12(22)10(14)13(15,4-20)23-11(12)19-5-16-7-8(19)17-6(2)18-9(7)21;1-3-12(22)10(21)13(14,4-19)23-11(12)18-5-15-7-8(18)16-6(2)17-9(7)20;1-5-16-7-6(8(20)17-5)15-4-18(7)10-11(2,13)9(21)12(14,3-19)22-10;1-11(22)8(21)12(2-13,3-19)23-9(11)18-4-15-5-6(18)16-10(14)17-7(5)20;1-5-15-7-6(8(19)16-5)14-4-17(7)10-11(2,21)9(20)12(13,3-18)22-10/h7,12-13,21-23H,4-6H2,1-3H3;6,11-12,21-22H,4-5H2,1-3H3;2*1,5,10-11,20,22H,4H2,2H3,(H,17,18,21);1,5,10-11,19,21-22H,4H2,2H3,(H,16,17,20);4,9-10,19,21H,3H2,1-2H3,(H,16,17,20);4,8-9,19,21-22H,2-3H2,1H3,(H3,14,16,17,20);4,9-10,18,20-21H,3H2,1-2H3,(H,15,16,19)/t12-,13+,14+,15+;11-,12+,13+,14+;3*10-,11+,12+,13+;9-,10+,11+,12+;8-,9+,11+,12+;9-,10+,11+,12+/m00000000/s1
InChIKeyKUDVMRWYSFBOIW-GPULJMQRSA-N
MW2637.28 g/mol
LogP-5.87
Rot. Bonds22

About 2-amino-9-[(2R,3R,4S,5R)-5-(fluoromethyl)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1H-purin-6-one;9-[(2R,3R,4S,5S)-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-methyl-1H-purin-6-one;(2R,3S,4S,5S)-2-(6-ethoxy-2-methylpurin-9-yl)-4,5-difluoro-5-(hydroxymethyl)-3-methyloxolan-3-ol;(2R,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2-(fluoromethyl)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol;9-[(2R,3R,4S,5S)-3-ethynyl-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3S,4S,5S)-3-ethynyl-4,5-difluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4S,5S)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-methyl-1H-purin-6-one

2-amino-9-[(2R,3R,4S,5R)-5-(fluoromethyl)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1H-purin-6-one;9-[(2R,3R,4S,5S)-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-methyl-1H-purin-6-one;(2R,3S,4S,5S)-2-(6-ethoxy-2-methylpurin-9-yl)-4,5-difluoro-5-(hydroxymethyl)-3-methyloxolan-3-ol;(2R,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2-(fluoromethyl)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol;9-[(2R,3R,4S,5S)-3-ethynyl-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3S,4S,5S)-3-ethynyl-4,5-difluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4S,5S)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-methyl-1H-purin-6-one (PubChem CID 159241523) has the molecular formula C104H121F12N33O36 and a molecular weight of 2637.28 g/mol. Its IUPAC name is 2-amino-9-[(2R,3R,4S,5R)-5-(fluoromethyl)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1H-purin-6-one;9-[(2R,3R,4S,5S)-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-methyl-1H-purin-6-one;(2R,3S,4S,5S)-2-(6-ethoxy-2-methylpurin-9-yl)-4,5-difluoro-5-(hydroxymethyl)-3-methyloxolan-3-ol;(2R,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2-(fluoromethyl)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol;9-[(2R,3R,4S,5S)-3-ethynyl-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3S,4S,5S)-3-ethynyl-4,5-difluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4S,5S)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-methyl-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-9-[(2R,3R,4S,5R)-5-(fluoromethyl)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1H-purin-6-one;9-[(2R,3R,4S,5S)-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-methyl-1H-purin-6-one;(2R,3S,4S,5S)-2-(6-ethoxy-2-methylpurin-9-yl)-4,5-difluoro-5-(hydroxymethyl)-3-methyloxolan-3-ol;(2R,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2-(fluoromethyl)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol;9-[(2R,3R,4S,5S)-3-ethynyl-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3S,4S,5S)-3-ethynyl-4,5-difluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4S,5S)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-methyl-1H-purin-6-one
PubChem CID159241523
Molecular FormulaC104H121F12N33O36
Molecular Weight2637.28 g/mol
Exact Mass2635.85
IUPAC Name2-amino-9-[(2R,3R,4S,5R)-5-(fluoromethyl)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1H-purin-6-one;9-[(2R,3R,4S,5S)-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-methyl-1H-purin-6-one;(2R,3S,4S,5S)-2-(6-ethoxy-2-methylpurin-9-yl)-4,5-difluoro-5-(hydroxymethyl)-3-methyloxolan-3-ol;(2R,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2-(fluoromethyl)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol;9-[(2R,3R,4S,5S)-3-ethynyl-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3S,4S,5S)-3-ethynyl-4,5-difluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4S,5S)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-methyl-1H-purin-6-one
SMILESC#C[C@]1(F)[C@H](n2cnc3c(=O)[nH]c(C)nc32)O[C@](F)(CO)[C@H]1O.C#C[C@]1(O)[C@H](n2cnc3c(=O)[nH]c(C)nc32)O[C@](F)(CO)[C@H]1F.C#C[C@]1(O)[C@H](n2cnc3c(=O)[nH]c(C)nc32)O[C@](F)(CO)[C@H]1O.CCOc1nc(C)nc2c1ncn2[C@@H]1O[C@@](CO)(CF)[C@@H](O)[C@@]1(C)O.CCOc1nc(C)nc2c1ncn2[C@@H]1O[C@](F)(CO)[C@@H](F)[C@@]1(C)O.C[C@@]1(O)[C@H](O)[C@](CO)(CF)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21.Cc1nc2c(ncn2[C@@H]2O[C@](F)(CO)[C@@H](O)[C@@]2(C)F)c(=O)[nH]1.Cc1nc2c(ncn2[C@@H]2O[C@](F)(CO)[C@@H](O)[C@@]2(C)O)c(=O)[nH]1
InChIInChI=1S/C15H21FN4O5.C14H18F2N4O4.2C13H12F2N4O4.C13H13FN4O5.C12H14F2N4O4.C12H16FN5O5.C12H15FN4O5/c1-4-24-11-9-10(18-8(2)19-11)20(7-17-9)13-14(3,23)12(22)15(5-16,6-21)25-13;1-4-23-10-8-9(18-7(2)19-10)20(6-17-8)12-13(3,22)11(15)14(16,5-21)24-12;1-3-12(14)10(22)13(15,4-20)23-11(12)19-5-16-7-8(19)17-6(2)18-9(7)21;1-3-12(22)10(14)13(15,4-20)23-11(12)19-5-16-7-8(19)17-6(2)18-9(7)21;1-3-12(22)10(21)13(14,4-19)23-11(12)18-5-15-7-8(18)16-6(2)17-9(7)20;1-5-16-7-6(8(20)17-5)15-4-18(7)10-11(2,13)9(21)12(14,3-19)22-10;1-11(22)8(21)12(2-13,3-19)23-9(11)18-4-15-5-6(18)16-10(14)17-7(5)20;1-5-15-7-6(8(19)16-5)14-4-17(7)10-11(2,21)9(20)12(13,3-18)22-10/h7,12-13,21-23H,4-6H2,1-3H3;6,11-12,21-22H,4-5H2,1-3H3;2*1,5,10-11,20,22H,4H2,2H3,(H,17,18,21);1,5,10-11,19,21-22H,4H2,2H3,(H,16,17,20);4,9-10,19,21H,3H2,1-2H3,(H,16,17,20);4,8-9,19,21-22H,2-3H2,1H3,(H3,14,16,17,20);4,9-10,18,20-21H,3H2,1-2H3,(H,15,16,19)/t12-,13+,14+,15+;11-,12+,13+,14+;3*10-,11+,12+,13+;9-,10+,11+,12+;8-,9+,11+,12+;9-,10+,11+,12+/m00000000/s1
InChIKeyKUDVMRWYSFBOIW-GPULJMQRSA-N
XLogP-5.87
TPSA991.54 Ų
H-Bond Donors27
H-Bond Acceptors63
Rotatable Bonds22
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002637.28
LogP ≤ 5-5.87
H-Bond Donors ≤ 527
H-Bond Acceptors ≤ 1063

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-amino-9-[(2R,3R,4S,5R)-5-(fluoromethyl)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1H-purin-6-one;9-[(2R,3R,4S,5S)-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-methyl-1H-purin-6-one;(2R,3S,4S,5S)-2-(6-ethoxy-2-methylpurin-9-yl)-4,5-difluoro-5-(hydroxymethyl)-3-methyloxolan-3-ol;(2R,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2-(fluoromethyl)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol;9-[(2R,3R,4S,5S)-3-ethynyl-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3S,4S,5S)-3-ethynyl-4,5-difluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4S,5S)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-methyl-1H-purin-6-one with MolForge

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Related Compounds

2-amino-9-[(2R,3S,4S,5S)-3-ethynyl-4,5-difluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 136981818
9-[(2R,3R,4S,5S)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one
CID 136506722
2-amino-9-[5-(fluoromethyl)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1H-purin-6-one
CID 137058076
2-amino-9-[(2R,3R,4R,5R)-3-fluoro-5-(fluoromethyl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1H-purin-6-one
CID 137230343
cyclohexyl 2-[[[(2S,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-4-ethynyl-2-fluoro-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2-fluoro-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2,2-dimethylpropyl 2-[[[(2S,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2-fluoro-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 160778243
[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(fluoromethyl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 136981839
2-amino-9-[3,5-difluoro-5-(hydroxymethyl)-4-methoxy-3-methyloxolan-2-yl]-1H-purin-6-one
CID 137062315
[[(2S,3S,4R)-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-2-fluoro-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 136981976
(2S,4aS,6R,7R,7aS)-6-(6-ethoxy-2-methylpurin-9-yl)-4a,7-difluoro-7-methyl-2-propan-2-yloxy-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine 2-oxide;(2R,4aS,6R,7R,7aS)-6-(6-ethoxy-2-methylpurin-9-yl)-4a,7-difluoro-7-methyl-2-propan-2-yloxy-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine 2-oxide;cyclohexyl 2-[[[(2S,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;[[(2S,3S,4R,5R)-4-ethynyl-2,4-difluoro-3-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 159692539
cyclohexyl 2-[[[(2S,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2,4-difluoro-3-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;bis(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,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-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 157356154
[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 136506727
[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-ethynyl-2-fluoro-3,4-dihydroxyoxolan-2-yl]methoxy-oxo-phenoxyphosphanium
CID 126554515

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-[(2R,3R,4S,5R)-5-(fluoromethyl)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1H-purin-6-one;9-[(2R,3R,4S,5S)-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-methyl-1H-purin-6-one;(2R,3S,4S,5S)-2-(6-ethoxy-2-methylpurin-9-yl)-4,5-difluoro-5-(hydroxymethyl)-3-methyloxolan-3-ol;(2R,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2-(fluoromethyl)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol;9-[(2R,3R,4S,5S)-3-ethynyl-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3S,4S,5S)-3-ethynyl-4,5-difluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4S,5S)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-methyl-1H-purin-6-one?
The IUPAC name of 2-amino-9-[(2R,3R,4S,5R)-5-(fluoromethyl)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1H-purin-6-one;9-[(2R,3R,4S,5S)-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-methyl-1H-purin-6-one;(2R,3S,4S,5S)-2-(6-ethoxy-2-methylpurin-9-yl)-4,5-difluoro-5-(hydroxymethyl)-3-methyloxolan-3-ol;(2R,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2-(fluoromethyl)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol;9-[(2R,3R,4S,5S)-3-ethynyl-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3S,4S,5S)-3-ethynyl-4,5-difluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4S,5S)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-methyl-1H-purin-6-one (CID 159241523) is 2-amino-9-[(2R,3R,4S,5R)-5-(fluoromethyl)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1H-purin-6-one;9-[(2R,3R,4S,5S)-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-methyl-1H-purin-6-one;(2R,3S,4S,5S)-2-(6-ethoxy-2-methylpurin-9-yl)-4,5-difluoro-5-(hydroxymethyl)-3-methyloxolan-3-ol;(2R,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2-(fluoromethyl)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol;9-[(2R,3R,4S,5S)-3-ethynyl-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3S,4S,5S)-3-ethynyl-4,5-difluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4S,5S)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-methyl-1H-purin-6-one.
What is the SMILES notation for 2-amino-9-[(2R,3R,4S,5R)-5-(fluoromethyl)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1H-purin-6-one;9-[(2R,3R,4S,5S)-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-methyl-1H-purin-6-one;(2R,3S,4S,5S)-2-(6-ethoxy-2-methylpurin-9-yl)-4,5-difluoro-5-(hydroxymethyl)-3-methyloxolan-3-ol;(2R,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2-(fluoromethyl)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol;9-[(2R,3R,4S,5S)-3-ethynyl-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3S,4S,5S)-3-ethynyl-4,5-difluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4S,5S)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-methyl-1H-purin-6-one?
The canonical SMILES for 2-amino-9-[(2R,3R,4S,5R)-5-(fluoromethyl)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1H-purin-6-one;9-[(2R,3R,4S,5S)-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-methyl-1H-purin-6-one;(2R,3S,4S,5S)-2-(6-ethoxy-2-methylpurin-9-yl)-4,5-difluoro-5-(hydroxymethyl)-3-methyloxolan-3-ol;(2R,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2-(fluoromethyl)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol;9-[(2R,3R,4S,5S)-3-ethynyl-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3S,4S,5S)-3-ethynyl-4,5-difluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4S,5S)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-methyl-1H-purin-6-one is C#C[C@]1(F)[C@H](n2cnc3c(=O)[nH]c(C)nc32)O[C@](F)(CO)[C@H]1O.C#C[C@]1(O)[C@H](n2cnc3c(=O)[nH]c(C)nc32)O[C@](F)(CO)[C@H]1F.C#C[C@]1(O)[C@H](n2cnc3c(=O)[nH]c(C)nc32)O[C@](F)(CO)[C@H]1O.CCOc1nc(C)nc2c1ncn2[C@@H]1O[C@@](CO)(CF)[C@@H](O)[C@@]1(C)O.CCOc1nc(C)nc2c1ncn2[C@@H]1O[C@](F)(CO)[C@@H](F)[C@@]1(C)O.C[C@@]1(O)[C@H](O)[C@](CO)(CF)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21.Cc1nc2c(ncn2[C@@H]2O[C@](F)(CO)[C@@H](O)[C@@]2(C)F)c(=O)[nH]1.Cc1nc2c(ncn2[C@@H]2O[C@](F)(CO)[C@@H](O)[C@@]2(C)O)c(=O)[nH]1.
What is the InChIKey of 2-amino-9-[(2R,3R,4S,5R)-5-(fluoromethyl)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1H-purin-6-one;9-[(2R,3R,4S,5S)-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-methyl-1H-purin-6-one;(2R,3S,4S,5S)-2-(6-ethoxy-2-methylpurin-9-yl)-4,5-difluoro-5-(hydroxymethyl)-3-methyloxolan-3-ol;(2R,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2-(fluoromethyl)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol;9-[(2R,3R,4S,5S)-3-ethynyl-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3S,4S,5S)-3-ethynyl-4,5-difluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4S,5S)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-methyl-1H-purin-6-one?
The InChIKey is KUDVMRWYSFBOIW-GPULJMQRSA-N. The full InChI is InChI=1S/C15H21FN4O5.C14H18F2N4O4.2C13H12F2N4O4.C13H13FN4O5.C12H14F2N4O4.C12H16FN5O5.C12H15FN4O5/c1-4-24-11-9-10(18-8(2)19-11)20(7-17-9)13-14(3,23)12(22)15(5-16,6-21)25-13;1-4-23-10-8-9(18-7(2)19-10)20(6-17-8)12-13(3,22)11(15)14(16,5-21)24-12;1-3-12(14)10(22)13(15,4-20)23-11(12)19-5-16-7-8(19)17-6(2)18-9(7)21;1-3-12(22)10(14)13(15,4-20)23-11(12)19-5-16-7-8(19)17-6(2)18-9(7)21;1-3-12(22)10(21)13(14,4-19)23-11(12)18-5-15-7-8(18)16-6(2)17-9(7)20;1-5-16-7-6(8(20)17-5)15-4-18(7)10-11(2,13)9(21)12(14,3-19)22-10;1-11(22)8(21)12(2-13,3-19)23-9(11)18-4-15-5-6(18)16-10(14)17-7(5)20;1-5-15-7-6(8(19)16-5)14-4-17(7)10-11(2,21)9(20)12(13,3-18)22-10/h7,12-13,21-23H,4-6H2,1-3H3;6,11-12,21-22H,4-5H2,1-3H3;2*1,5,10-11,20,22H,4H2,2H3,(H,17,18,21);1,5,10-11,19,21-22H,4H2,2H3,(H,16,17,20);4,9-10,19,21H,3H2,1-2H3,(H,16,17,20);4,8-9,19,21-22H,2-3H2,1H3,(H3,14,16,17,20);4,9-10,18,20-21H,3H2,1-2H3,(H,15,16,19)/t12-,13+,14+,15+;11-,12+,13+,14+;3*10-,11+,12+,13+;9-,10+,11+,12+;8-,9+,11+,12+;9-,10+,11+,12+/m00000000/s1.
What are the key properties of 2-amino-9-[(2R,3R,4S,5R)-5-(fluoromethyl)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1H-purin-6-one;9-[(2R,3R,4S,5S)-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-methyl-1H-purin-6-one;(2R,3S,4S,5S)-2-(6-ethoxy-2-methylpurin-9-yl)-4,5-difluoro-5-(hydroxymethyl)-3-methyloxolan-3-ol;(2R,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2-(fluoromethyl)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol;9-[(2R,3R,4S,5S)-3-ethynyl-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3S,4S,5S)-3-ethynyl-4,5-difluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4S,5S)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-methyl-1H-purin-6-one?
2-amino-9-[(2R,3R,4S,5R)-5-(fluoromethyl)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1H-purin-6-one;9-[(2R,3R,4S,5S)-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-methyl-1H-purin-6-one;(2R,3S,4S,5S)-2-(6-ethoxy-2-methylpurin-9-yl)-4,5-difluoro-5-(hydroxymethyl)-3-methyloxolan-3-ol;(2R,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2-(fluoromethyl)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol;9-[(2R,3R,4S,5S)-3-ethynyl-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3S,4S,5S)-3-ethynyl-4,5-difluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4S,5S)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-methyl-1H-purin-6-one has a molecular weight of 2637.28 g/mol, XLogP of -5.87, 22 rotatable bonds, 27 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-[(2R,3R,4S,5R)-5-(fluoromethyl)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1H-purin-6-one;9-[(2R,3R,4S,5S)-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-methyl-1H-purin-6-one;(2R,3S,4S,5S)-2-(6-ethoxy-2-methylpurin-9-yl)-4,5-difluoro-5-(hydroxymethyl)-3-methyloxolan-3-ol;(2R,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-2-(fluoromethyl)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol;9-[(2R,3R,4S,5S)-3-ethynyl-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3S,4S,5S)-3-ethynyl-4,5-difluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4S,5S)-3-ethynyl-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;9-[(2R,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-methyl-1H-purin-6-one is sourced from PubChem (CID 159241523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).