(2R,3R,4R,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-2-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4R,5R)-5-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-(fluoromethyl)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol;(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-5-[4-(hydroxyamino)-2-methylidenepyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-ol;9-[(2R,3R,4R,5R)-5-(azidomethyl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolan-3-ol

C92H122ClF8N47O28 — CID 159229769

IUPAC(2R,3R,4R,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-2-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4R,5R)-5-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-(fluoromethyl)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol;(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-5-[4-(hydroxyamino)-2-methylidenepyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-ol;9-[(2R,3R,4R,5R)-5-(azidomethyl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolan-3-ol
SMILESC=C1N/C(=N/C)C=CN1[C@@H]1O[C@@](CO)(CN=[N+]=[N-])[C@@H](O)[C@H]1F.C=C1N=C(N)C(C)=CN1[C@@H]1O[C@@](CO)(CN=[N+]=[N-])[C@@H](O)[C@H]1F.C=C1N=C(N)C(F)=CN1[C@@H]1O[C@@](CO)(CN=[N+]=[N-])[C@@H](O)[C@H]1F.C=C1N=C(N)C=CN1[C@@H]1O[C@@](CO)(CCl)[C@@H](O)[C@H]1O.C=C1N=C(NO)C=CN1[C@@H]1O[C@@](CO)(CN=[N+]=[N-])[C@@H](O)[C@H]1F.C[C@@]1(O)[C@H](O)[C@](CO)(CF)O[C@H]1n1cnc2c(N)ncnc21.Cc1nc2c(ncn2[C@@H]2O[C@@](CO)(CN=[N+]=[N-])[C@@H](O)[C@H]2F)c(=O)[nH]1.[N-]=[N+]=NC[C@]1(CO)O[C@@H](n2cnc3c(N)ncnc32)[C@H](F)[C@@H]1O
InChIInChI=1S/C12H14FN7O4.2C12H17FN6O3.C12H16FN5O4.C11H16ClN3O4.C11H14F2N6O3.C11H13FN8O3.C11H15FN6O4/c1-5-17-9-7(10(23)18-5)15-4-20(9)11-6(13)8(22)12(3-21,24-11)2-16-19-14;1-6-3-19(7(2)17-10(6)14)11-8(13)9(21)12(5-20,22-11)4-16-18-15;1-7-17-8(15-2)3-4-19(7)11-9(13)10(21)12(6-20,22-11)5-16-18-14;1-11(21)9(20)12(2-13,3-19)22-10(11)18-5-17-6-7(14)15-4-16-8(6)18;1-6-14-7(13)2-3-15(6)10-8(17)9(18)11(4-12,5-16)19-10;1-5-17-9(14)6(12)2-19(5)10-7(13)8(21)11(4-20,22-10)3-16-18-15;12-5-7(22)11(2-21,1-18-19-14)23-10(5)20-4-17-6-8(13)15-3-16-9(6)20;1-6-15-7(16-21)2-3-18(6)10-8(12)9(20)11(5-19,22-10)4-14-17-13/h4,6,8,11,21-22H,2-3H2,1H3,(H,17,18,23);3,8-9,11,20-21H,2,4-5H2,1H3,(H2,14,17);3-4,9-11,20-21H,1,5-6H2,2H3,(H,15,17);4-5,9-10,19-21H,2-3H2,1H3,(H2,14,15,16);2-3,8-10,16-18H,1,4-5H2,(H2,13,14);2,7-8,10,20-21H,1,3-4H2,(H2,14,17);3-5,7,10,21-22H,1-2H2,(H2,13,15,16);2-3,8-10,19-21H,1,4-5H2,(H,15,16)/t6-,8+,11-,12-;8-,9+,11-,12-;9-,10+,11-,12-;9-,10+,11+,12+;8-,9+,10-,11-;7-,8+,10-,11-;5-,7+,10-,11-;8-,9+,10-,11-/m11101111/s1
InChIKeyKSTCBGIPZGQUFS-JOGLPPQESA-N
MW2521.73 g/mol
LogP-3.25
Rot. Bonds30

About (2R,3R,4R,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-2-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4R,5R)-5-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-(fluoromethyl)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol;(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-5-[4-(hydroxyamino)-2-methylidenepyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-ol;9-[(2R,3R,4R,5R)-5-(azidomethyl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolan-3-ol

(2R,3R,4R,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-2-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4R,5R)-5-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-(fluoromethyl)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol;(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-5-[4-(hydroxyamino)-2-methylidenepyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-ol;9-[(2R,3R,4R,5R)-5-(azidomethyl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolan-3-ol (PubChem CID 159229769) has the molecular formula C92H122ClF8N47O28 and a molecular weight of 2521.73 g/mol. Its IUPAC name is (2R,3R,4R,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-2-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4R,5R)-5-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-(fluoromethyl)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol;(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-5-[4-(hydroxyamino)-2-methylidenepyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-ol;9-[(2R,3R,4R,5R)-5-(azidomethyl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-2-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4R,5R)-5-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-(fluoromethyl)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol;(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-5-[4-(hydroxyamino)-2-methylidenepyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-ol;9-[(2R,3R,4R,5R)-5-(azidomethyl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolan-3-ol
PubChem CID159229769
Molecular FormulaC92H122ClF8N47O28
Molecular Weight2521.73 g/mol
Exact Mass2519.91
IUPAC Name(2R,3R,4R,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-2-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4R,5R)-5-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-(fluoromethyl)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol;(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-5-[4-(hydroxyamino)-2-methylidenepyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-ol;9-[(2R,3R,4R,5R)-5-(azidomethyl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolan-3-ol
SMILESC=C1N/C(=N/C)C=CN1[C@@H]1O[C@@](CO)(CN=[N+]=[N-])[C@@H](O)[C@H]1F.C=C1N=C(N)C(C)=CN1[C@@H]1O[C@@](CO)(CN=[N+]=[N-])[C@@H](O)[C@H]1F.C=C1N=C(N)C(F)=CN1[C@@H]1O[C@@](CO)(CN=[N+]=[N-])[C@@H](O)[C@H]1F.C=C1N=C(N)C=CN1[C@@H]1O[C@@](CO)(CCl)[C@@H](O)[C@H]1O.C=C1N=C(NO)C=CN1[C@@H]1O[C@@](CO)(CN=[N+]=[N-])[C@@H](O)[C@H]1F.C[C@@]1(O)[C@H](O)[C@](CO)(CF)O[C@H]1n1cnc2c(N)ncnc21.Cc1nc2c(ncn2[C@@H]2O[C@@](CO)(CN=[N+]=[N-])[C@@H](O)[C@H]2F)c(=O)[nH]1.[N-]=[N+]=NC[C@]1(CO)O[C@@H](n2cnc3c(N)ncnc32)[C@H](F)[C@@H]1O
InChIInChI=1S/C12H14FN7O4.2C12H17FN6O3.C12H16FN5O4.C11H16ClN3O4.C11H14F2N6O3.C11H13FN8O3.C11H15FN6O4/c1-5-17-9-7(10(23)18-5)15-4-20(9)11-6(13)8(22)12(3-21,24-11)2-16-19-14;1-6-3-19(7(2)17-10(6)14)11-8(13)9(21)12(5-20,22-11)4-16-18-15;1-7-17-8(15-2)3-4-19(7)11-9(13)10(21)12(6-20,22-11)5-16-18-14;1-11(21)9(20)12(2-13,3-19)22-10(11)18-5-17-6-7(14)15-4-16-8(6)18;1-6-14-7(13)2-3-15(6)10-8(17)9(18)11(4-12,5-16)19-10;1-5-17-9(14)6(12)2-19(5)10-7(13)8(21)11(4-20,22-10)3-16-18-15;12-5-7(22)11(2-21,1-18-19-14)23-10(5)20-4-17-6-8(13)15-3-16-9(6)20;1-6-15-7(16-21)2-3-18(6)10-8(12)9(20)11(5-19,22-10)4-14-17-13/h4,6,8,11,21-22H,2-3H2,1H3,(H,17,18,23);3,8-9,11,20-21H,2,4-5H2,1H3,(H2,14,17);3-4,9-11,20-21H,1,5-6H2,2H3,(H,15,17);4-5,9-10,19-21H,2-3H2,1H3,(H2,14,15,16);2-3,8-10,16-18H,1,4-5H2,(H2,13,14);2,7-8,10,20-21H,1,3-4H2,(H2,14,17);3-5,7,10,21-22H,1-2H2,(H2,13,15,16);2-3,8-10,19-21H,1,4-5H2,(H,15,16)/t6-,8+,11-,12-;8-,9+,11-,12-;9-,10+,11-,12-;9-,10+,11+,12+;8-,9+,10-,11-;7-,8+,10-,11-;5-,7+,10-,11-;8-,9+,10-,11-/m11101111/s1
InChIKeyKSTCBGIPZGQUFS-JOGLPPQESA-N
XLogP-3.25
TPSA1133.70 Ų
H-Bond Donors27
H-Bond Acceptors61
Rotatable Bonds30
Heavy Atoms176
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002521.73
LogP ≤ 5-3.25
H-Bond Donors ≤ 527
H-Bond Acceptors ≤ 1061

Analyze (2R,3R,4R,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-2-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4R,5R)-5-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-(fluoromethyl)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol;(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-5-[4-(hydroxyamino)-2-methylidenepyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-ol;9-[(2R,3R,4R,5R)-5-(azidomethyl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolan-3-ol with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-2-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4R,5R)-5-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-(fluoromethyl)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol;(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-5-[4-(hydroxyamino)-2-methylidenepyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-ol;9-[(2R,3R,4R,5R)-5-(azidomethyl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolan-3-ol?
The IUPAC name of (2R,3R,4R,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-2-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4R,5R)-5-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-(fluoromethyl)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol;(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-5-[4-(hydroxyamino)-2-methylidenepyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-ol;9-[(2R,3R,4R,5R)-5-(azidomethyl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolan-3-ol (CID 159229769) is (2R,3R,4R,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-2-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4R,5R)-5-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-(fluoromethyl)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol;(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-5-[4-(hydroxyamino)-2-methylidenepyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-ol;9-[(2R,3R,4R,5R)-5-(azidomethyl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolan-3-ol.
What is the SMILES notation for (2R,3R,4R,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-2-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4R,5R)-5-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-(fluoromethyl)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol;(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-5-[4-(hydroxyamino)-2-methylidenepyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-ol;9-[(2R,3R,4R,5R)-5-(azidomethyl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolan-3-ol?
The canonical SMILES for (2R,3R,4R,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-2-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4R,5R)-5-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-(fluoromethyl)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol;(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-5-[4-(hydroxyamino)-2-methylidenepyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-ol;9-[(2R,3R,4R,5R)-5-(azidomethyl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolan-3-ol is C=C1N/C(=N/C)C=CN1[C@@H]1O[C@@](CO)(CN=[N+]=[N-])[C@@H](O)[C@H]1F.C=C1N=C(N)C(C)=CN1[C@@H]1O[C@@](CO)(CN=[N+]=[N-])[C@@H](O)[C@H]1F.C=C1N=C(N)C(F)=CN1[C@@H]1O[C@@](CO)(CN=[N+]=[N-])[C@@H](O)[C@H]1F.C=C1N=C(N)C=CN1[C@@H]1O[C@@](CO)(CCl)[C@@H](O)[C@H]1O.C=C1N=C(NO)C=CN1[C@@H]1O[C@@](CO)(CN=[N+]=[N-])[C@@H](O)[C@H]1F.C[C@@]1(O)[C@H](O)[C@](CO)(CF)O[C@H]1n1cnc2c(N)ncnc21.Cc1nc2c(ncn2[C@@H]2O[C@@](CO)(CN=[N+]=[N-])[C@@H](O)[C@H]2F)c(=O)[nH]1.[N-]=[N+]=NC[C@]1(CO)O[C@@H](n2cnc3c(N)ncnc32)[C@H](F)[C@@H]1O.
What is the InChIKey of (2R,3R,4R,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-2-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4R,5R)-5-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-(fluoromethyl)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol;(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-5-[4-(hydroxyamino)-2-methylidenepyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-ol;9-[(2R,3R,4R,5R)-5-(azidomethyl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolan-3-ol?
The InChIKey is KSTCBGIPZGQUFS-JOGLPPQESA-N. The full InChI is InChI=1S/C12H14FN7O4.2C12H17FN6O3.C12H16FN5O4.C11H16ClN3O4.C11H14F2N6O3.C11H13FN8O3.C11H15FN6O4/c1-5-17-9-7(10(23)18-5)15-4-20(9)11-6(13)8(22)12(3-21,24-11)2-16-19-14;1-6-3-19(7(2)17-10(6)14)11-8(13)9(21)12(5-20,22-11)4-16-18-15;1-7-17-8(15-2)3-4-19(7)11-9(13)10(21)12(6-20,22-11)5-16-18-14;1-11(21)9(20)12(2-13,3-19)22-10(11)18-5-17-6-7(14)15-4-16-8(6)18;1-6-14-7(13)2-3-15(6)10-8(17)9(18)11(4-12,5-16)19-10;1-5-17-9(14)6(12)2-19(5)10-7(13)8(21)11(4-20,22-10)3-16-18-15;12-5-7(22)11(2-21,1-18-19-14)23-10(5)20-4-17-6-8(13)15-3-16-9(6)20;1-6-15-7(16-21)2-3-18(6)10-8(12)9(20)11(5-19,22-10)4-14-17-13/h4,6,8,11,21-22H,2-3H2,1H3,(H,17,18,23);3,8-9,11,20-21H,2,4-5H2,1H3,(H2,14,17);3-4,9-11,20-21H,1,5-6H2,2H3,(H,15,17);4-5,9-10,19-21H,2-3H2,1H3,(H2,14,15,16);2-3,8-10,16-18H,1,4-5H2,(H2,13,14);2,7-8,10,20-21H,1,3-4H2,(H2,14,17);3-5,7,10,21-22H,1-2H2,(H2,13,15,16);2-3,8-10,19-21H,1,4-5H2,(H,15,16)/t6-,8+,11-,12-;8-,9+,11-,12-;9-,10+,11-,12-;9-,10+,11+,12+;8-,9+,10-,11-;7-,8+,10-,11-;5-,7+,10-,11-;8-,9+,10-,11-/m11101111/s1.
What are the key properties of (2R,3R,4R,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-2-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4R,5R)-5-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-(fluoromethyl)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol;(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-5-[4-(hydroxyamino)-2-methylidenepyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-ol;9-[(2R,3R,4R,5R)-5-(azidomethyl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolan-3-ol?
(2R,3R,4R,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-2-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4R,5R)-5-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-(fluoromethyl)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol;(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-5-[4-(hydroxyamino)-2-methylidenepyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-ol;9-[(2R,3R,4R,5R)-5-(azidomethyl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolan-3-ol has a molecular weight of 2521.73 g/mol, XLogP of -3.25, 30 rotatable bonds, 27 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(chloromethyl)-2-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,4R,5R)-5-(4-amino-5-methyl-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-(fluoromethyl)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol;(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-5-[4-(hydroxyamino)-2-methylidenepyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-ol;9-[(2R,3R,4R,5R)-5-(azidomethyl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-1H-purin-6-one;(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-2-(hydroxymethyl)-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolan-3-ol is sourced from PubChem (CID 159229769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).