(2R,3R,4R,5R)-5-(4-amino-5-deuterio-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3-(fluoromethyl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-2-[dideuterio(hydroxy)methyl]-4-fluorooxolan-3-ol;(2R,3S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)-2-prop-2-enyloxolan-3-ol;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethynyl-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethynyl-2-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol

C115H149F12N41O32 — CID 158345563

IUPAC(2R,3R,4R,5R)-5-(4-amino-5-deuterio-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3-(fluoromethyl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-2-[dideuterio(hydroxy)methyl]-4-fluorooxolan-3-ol;(2R,3S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)-2-prop-2-enyloxolan-3-ol;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethynyl-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethynyl-2-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol
SMILESC#C[C@]1(CO)O[C@@H](N2C=CC(N)=NC2=C)C(F)(F)[C@@H]1O.C#C[C@]1(CO)O[C@@H](N2C=CC(N)=NC2=C)[C@H](O)[C@@H]1O.C=C1N=C(N)C=CN1[C@@H]1O[C@](C#N)(CO)[C@@H](O)C1(F)F.C=C1N=C(N)C=CN1[C@@H]1O[C@](C)(CO)[C@@H](O)C1(F)F.C=C1N=C(N)C=CN1[C@@H]1O[C@](C)(CO)[C@@H](O)[C@H]1F.C=C1N=C(N)C=CN1[C@H]1C[C@H](O)[C@](CO)(CN=[N+]=[N-])O1.C=CC[C@]1(CO)O[C@@H](N2C=CC(N)=NC2=C)C(F)(F)[C@@H]1O.Nc1ccnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@]1(O)CF.[2H]C([2H])(O)[C@@]1(CN=[N+]=[N-])O[C@@H](N2C=CC(N)=NC2=C)[C@H](F)[C@@H]1O.[2H]C1=CN([C@@H]2O[C@@](CO)(CN=[N+]=[N-])[C@@H](O)[C@H]2F)C(=C)N=C1N
InChIInChI=1S/C13H17F2N3O3.C12H13F2N3O3.C12H15FN4O4.C12H15N3O4.C11H12F2N4O3.C11H15F2N3O3.2C11H15FN6O3.C11H16FN3O3.C11H16N6O3/c1-3-5-12(7-19)10(20)13(14,15)11(21-12)18-6-4-9(16)17-8(18)2;1-3-11(6-18)9(19)12(13,14)10(20-11)17-5-4-8(15)16-7(17)2;13-4-12(20)9(19)7(3-18)21-11(12)17-5-16-8-6(14)1-2-15-10(8)17;1-3-12(6-16)10(18)9(17)11(19-12)15-5-4-8(13)14-7(15)2;1-6-16-7(15)2-3-17(6)9-11(12,13)8(19)10(4-14,5-18)20-9;1-6-15-7(14)3-4-16(6)9-11(12,13)8(18)10(2,5-17)19-9;2*1-6-16-7(13)2-3-18(6)10-8(12)9(20)11(5-19,21-10)4-15-17-14;1-6-14-7(13)3-4-15(6)10-8(12)9(17)11(2,5-16)18-10;1-7-15-9(12)2-3-17(7)10-4-8(19)11(6-18,20-10)5-14-16-13/h3-4,6,10-11,19-20H,1-2,5,7H2,(H2,16,17);1,4-5,9-10,18-19H,2,6H2,(H2,15,16);1-2,5,7,9,11,18-20H,3-4H2,(H2,14,15);1,4-5,9-11,16-18H,2,6H2,(H2,13,14);2-3,8-9,18-19H,1,5H2,(H2,15,16);3-4,8-9,17-18H,1,5H2,2H3,(H2,14,15);2*2-3,8-10,19-20H,1,4-5H2,(H2,13,16);3-4,8-10,16-17H,1,5H2,2H3,(H2,13,14);2-3,8,10,18-19H,1,4-6H2,(H2,12,15)/t10-,11-,12-;9-,10-,11-;7-,9-,11-,12-;9-,10+,11-,12-;2*8-,9-,10-;3*8-,9+,10-,11-;8-,10+,11+/m1111111110/s1/i;;;;;;5D2;2D;;
InChIKeyGRRPFGOGILOOSX-XNCXMCKYSA-N
MW2848.71 g/mol
LogP-5.56
Rot. Bonds29

About (2R,3R,4R,5R)-5-(4-amino-5-deuterio-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3-(fluoromethyl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-2-[dideuterio(hydroxy)methyl]-4-fluorooxolan-3-ol;(2R,3S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)-2-prop-2-enyloxolan-3-ol;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethynyl-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethynyl-2-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol

(2R,3R,4R,5R)-5-(4-amino-5-deuterio-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3-(fluoromethyl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-2-[dideuterio(hydroxy)methyl]-4-fluorooxolan-3-ol;(2R,3S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)-2-prop-2-enyloxolan-3-ol;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethynyl-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethynyl-2-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol (PubChem CID 158345563) has the molecular formula C115H149F12N41O32 and a molecular weight of 2848.71 g/mol. Its IUPAC name is (2R,3R,4R,5R)-5-(4-amino-5-deuterio-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3-(fluoromethyl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-2-[dideuterio(hydroxy)methyl]-4-fluorooxolan-3-ol;(2R,3S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)-2-prop-2-enyloxolan-3-ol;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethynyl-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethynyl-2-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-5-(4-amino-5-deuterio-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3-(fluoromethyl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-2-[dideuterio(hydroxy)methyl]-4-fluorooxolan-3-ol;(2R,3S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)-2-prop-2-enyloxolan-3-ol;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethynyl-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethynyl-2-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol
PubChem CID158345563
Molecular FormulaC115H149F12N41O32
Molecular Weight2848.71 g/mol
Exact Mass2847.13
IUPAC Name(2R,3R,4R,5R)-5-(4-amino-5-deuterio-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3-(fluoromethyl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-2-[dideuterio(hydroxy)methyl]-4-fluorooxolan-3-ol;(2R,3S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)-2-prop-2-enyloxolan-3-ol;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethynyl-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethynyl-2-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol
SMILESC#C[C@]1(CO)O[C@@H](N2C=CC(N)=NC2=C)C(F)(F)[C@@H]1O.C#C[C@]1(CO)O[C@@H](N2C=CC(N)=NC2=C)[C@H](O)[C@@H]1O.C=C1N=C(N)C=CN1[C@@H]1O[C@](C#N)(CO)[C@@H](O)C1(F)F.C=C1N=C(N)C=CN1[C@@H]1O[C@](C)(CO)[C@@H](O)C1(F)F.C=C1N=C(N)C=CN1[C@@H]1O[C@](C)(CO)[C@@H](O)[C@H]1F.C=C1N=C(N)C=CN1[C@H]1C[C@H](O)[C@](CO)(CN=[N+]=[N-])O1.C=CC[C@]1(CO)O[C@@H](N2C=CC(N)=NC2=C)C(F)(F)[C@@H]1O.Nc1ccnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@]1(O)CF.[2H]C([2H])(O)[C@@]1(CN=[N+]=[N-])O[C@@H](N2C=CC(N)=NC2=C)[C@H](F)[C@@H]1O.[2H]C1=CN([C@@H]2O[C@@](CO)(CN=[N+]=[N-])[C@@H](O)[C@H]2F)C(=C)N=C1N
InChIInChI=1S/C13H17F2N3O3.C12H13F2N3O3.C12H15FN4O4.C12H15N3O4.C11H12F2N4O3.C11H15F2N3O3.2C11H15FN6O3.C11H16FN3O3.C11H16N6O3/c1-3-5-12(7-19)10(20)13(14,15)11(21-12)18-6-4-9(16)17-8(18)2;1-3-11(6-18)9(19)12(13,14)10(20-11)17-5-4-8(15)16-7(17)2;13-4-12(20)9(19)7(3-18)21-11(12)17-5-16-8-6(14)1-2-15-10(8)17;1-3-12(6-16)10(18)9(17)11(19-12)15-5-4-8(13)14-7(15)2;1-6-16-7(15)2-3-17(6)9-11(12,13)8(19)10(4-14,5-18)20-9;1-6-15-7(14)3-4-16(6)9-11(12,13)8(18)10(2,5-17)19-9;2*1-6-16-7(13)2-3-18(6)10-8(12)9(20)11(5-19,21-10)4-15-17-14;1-6-14-7(13)3-4-15(6)10-8(12)9(17)11(2,5-16)18-10;1-7-15-9(12)2-3-17(7)10-4-8(19)11(6-18,20-10)5-14-16-13/h3-4,6,10-11,19-20H,1-2,5,7H2,(H2,16,17);1,4-5,9-10,18-19H,2,6H2,(H2,15,16);1-2,5,7,9,11,18-20H,3-4H2,(H2,14,15);1,4-5,9-11,16-18H,2,6H2,(H2,13,14);2-3,8-9,18-19H,1,5H2,(H2,15,16);3-4,8-9,17-18H,1,5H2,2H3,(H2,14,15);2*2-3,8-10,19-20H,1,4-5H2,(H2,13,16);3-4,8-10,16-17H,1,5H2,2H3,(H2,13,14);2-3,8,10,18-19H,1,4-6H2,(H2,12,15)/t10-,11-,12-;9-,10-,11-;7-,9-,11-,12-;9-,10+,11-,12-;2*8-,9-,10-;3*8-,9+,10-,11-;8-,10+,11+/m1111111110/s1/i;;;;;;5D2;2D;;
InChIKeyGRRPFGOGILOOSX-XNCXMCKYSA-N
XLogP-5.56
TPSA1138.74 Ų
H-Bond Donors32
H-Bond Acceptors67
Rotatable Bonds29
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002848.71
LogP ≤ 5-5.56
H-Bond Donors ≤ 532
H-Bond Acceptors ≤ 1067

Analyze (2R,3R,4R,5R)-5-(4-amino-5-deuterio-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3-(fluoromethyl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-2-[dideuterio(hydroxy)methyl]-4-fluorooxolan-3-ol;(2R,3S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)-2-prop-2-enyloxolan-3-ol;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethynyl-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethynyl-2-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-5-(4-amino-5-deuterio-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3-(fluoromethyl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-2-[dideuterio(hydroxy)methyl]-4-fluorooxolan-3-ol;(2R,3S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)-2-prop-2-enyloxolan-3-ol;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethynyl-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethynyl-2-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol?
The IUPAC name of (2R,3R,4R,5R)-5-(4-amino-5-deuterio-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3-(fluoromethyl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-2-[dideuterio(hydroxy)methyl]-4-fluorooxolan-3-ol;(2R,3S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)-2-prop-2-enyloxolan-3-ol;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethynyl-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethynyl-2-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol (CID 158345563) is (2R,3R,4R,5R)-5-(4-amino-5-deuterio-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3-(fluoromethyl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-2-[dideuterio(hydroxy)methyl]-4-fluorooxolan-3-ol;(2R,3S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)-2-prop-2-enyloxolan-3-ol;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethynyl-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethynyl-2-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol.
What is the SMILES notation for (2R,3R,4R,5R)-5-(4-amino-5-deuterio-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3-(fluoromethyl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-2-[dideuterio(hydroxy)methyl]-4-fluorooxolan-3-ol;(2R,3S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)-2-prop-2-enyloxolan-3-ol;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethynyl-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethynyl-2-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol?
The canonical SMILES for (2R,3R,4R,5R)-5-(4-amino-5-deuterio-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3-(fluoromethyl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-2-[dideuterio(hydroxy)methyl]-4-fluorooxolan-3-ol;(2R,3S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)-2-prop-2-enyloxolan-3-ol;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethynyl-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethynyl-2-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol is C#C[C@]1(CO)O[C@@H](N2C=CC(N)=NC2=C)C(F)(F)[C@@H]1O.C#C[C@]1(CO)O[C@@H](N2C=CC(N)=NC2=C)[C@H](O)[C@@H]1O.C=C1N=C(N)C=CN1[C@@H]1O[C@](C#N)(CO)[C@@H](O)C1(F)F.C=C1N=C(N)C=CN1[C@@H]1O[C@](C)(CO)[C@@H](O)C1(F)F.C=C1N=C(N)C=CN1[C@@H]1O[C@](C)(CO)[C@@H](O)[C@H]1F.C=C1N=C(N)C=CN1[C@H]1C[C@H](O)[C@](CO)(CN=[N+]=[N-])O1.C=CC[C@]1(CO)O[C@@H](N2C=CC(N)=NC2=C)C(F)(F)[C@@H]1O.Nc1ccnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@]1(O)CF.[2H]C([2H])(O)[C@@]1(CN=[N+]=[N-])O[C@@H](N2C=CC(N)=NC2=C)[C@H](F)[C@@H]1O.[2H]C1=CN([C@@H]2O[C@@](CO)(CN=[N+]=[N-])[C@@H](O)[C@H]2F)C(=C)N=C1N.
What is the InChIKey of (2R,3R,4R,5R)-5-(4-amino-5-deuterio-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3-(fluoromethyl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-2-[dideuterio(hydroxy)methyl]-4-fluorooxolan-3-ol;(2R,3S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)-2-prop-2-enyloxolan-3-ol;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethynyl-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethynyl-2-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol?
The InChIKey is GRRPFGOGILOOSX-XNCXMCKYSA-N. The full InChI is InChI=1S/C13H17F2N3O3.C12H13F2N3O3.C12H15FN4O4.C12H15N3O4.C11H12F2N4O3.C11H15F2N3O3.2C11H15FN6O3.C11H16FN3O3.C11H16N6O3/c1-3-5-12(7-19)10(20)13(14,15)11(21-12)18-6-4-9(16)17-8(18)2;1-3-11(6-18)9(19)12(13,14)10(20-11)17-5-4-8(15)16-7(17)2;13-4-12(20)9(19)7(3-18)21-11(12)17-5-16-8-6(14)1-2-15-10(8)17;1-3-12(6-16)10(18)9(17)11(19-12)15-5-4-8(13)14-7(15)2;1-6-16-7(15)2-3-17(6)9-11(12,13)8(19)10(4-14,5-18)20-9;1-6-15-7(14)3-4-16(6)9-11(12,13)8(18)10(2,5-17)19-9;2*1-6-16-7(13)2-3-18(6)10-8(12)9(20)11(5-19,21-10)4-15-17-14;1-6-14-7(13)3-4-15(6)10-8(12)9(17)11(2,5-16)18-10;1-7-15-9(12)2-3-17(7)10-4-8(19)11(6-18,20-10)5-14-16-13/h3-4,6,10-11,19-20H,1-2,5,7H2,(H2,16,17);1,4-5,9-10,18-19H,2,6H2,(H2,15,16);1-2,5,7,9,11,18-20H,3-4H2,(H2,14,15);1,4-5,9-11,16-18H,2,6H2,(H2,13,14);2-3,8-9,18-19H,1,5H2,(H2,15,16);3-4,8-9,17-18H,1,5H2,2H3,(H2,14,15);2*2-3,8-10,19-20H,1,4-5H2,(H2,13,16);3-4,8-10,16-17H,1,5H2,2H3,(H2,13,14);2-3,8,10,18-19H,1,4-6H2,(H2,12,15)/t10-,11-,12-;9-,10-,11-;7-,9-,11-,12-;9-,10+,11-,12-;2*8-,9-,10-;3*8-,9+,10-,11-;8-,10+,11+/m1111111110/s1/i;;;;;;5D2;2D;;.
What are the key properties of (2R,3R,4R,5R)-5-(4-amino-5-deuterio-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3-(fluoromethyl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-2-[dideuterio(hydroxy)methyl]-4-fluorooxolan-3-ol;(2R,3S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)-2-prop-2-enyloxolan-3-ol;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethynyl-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethynyl-2-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol?
(2R,3R,4R,5R)-5-(4-amino-5-deuterio-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3-(fluoromethyl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-2-[dideuterio(hydroxy)methyl]-4-fluorooxolan-3-ol;(2R,3S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)-2-prop-2-enyloxolan-3-ol;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethynyl-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethynyl-2-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol has a molecular weight of 2848.71 g/mol, XLogP of -5.56, 29 rotatable bonds, 32 hydrogen bond donors, and 67 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-5-(4-amino-5-deuterio-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3-(fluoromethyl)-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-2-[dideuterio(hydroxy)methyl]-4-fluorooxolan-3-ol;(2R,3S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-3-hydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)-2-prop-2-enyloxolan-3-ol;(2R,3R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethynyl-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-ethynyl-2-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-2-methyloxolan-3-ol is sourced from PubChem (CID 158345563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).