[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[(E)-but-1-enyl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-butyl-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-(3-methylbutyl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-propan-2-yloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-prop-1-en-2-yloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(2R,3R,4R,5R)-2-(chloromethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;[[(2R,3R,4R,5R)-2-(chloromethyl)-4-fluoro-3-hydroxy-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

C91H152Cl2F7N20O80P19 — CID 160899450

IUPAC[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[(E)-but-1-enyl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-butyl-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-(3-methylbutyl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-propan-2-yloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-prop-1-en-2-yloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(2R,3R,4R,5R)-2-(chloromethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;[[(2R,3R,4R,5R)-2-(chloromethyl)-4-fluoro-3-hydroxy-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
SMILESC=C1N/C(=N/C)C=CN1[C@@H]1O[C@](CCl)(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1F.C=C1N=C(N)C=CN1[C@@H]1O[C@@](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)(C(=C)C)[C@@H](O)[C@H]1F.C=C1N=C(N)C=CN1[C@@H]1O[C@@](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)(C(C)C)[C@@H](O)[C@H]1F.C=C1N=C(N)C=CN1[C@@H]1O[C@](/C=C/CC)(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1F.C=C1N=C(N)C=CN1[C@@H]1O[C@](CCC(C)C)(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1F.C=C1N=C(N)C=CN1[C@@H]1O[C@](CCCC)(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1F.O=c1ccn([C@@H]2O[C@](CCl)(COP(=O)(O)O)[C@@H](O)[C@H]2F)c(=O)[nH]1
InChIInChI=1S/C15H27FN3O12P3.C14H25FN3O12P3.C14H23FN3O12P3.C13H23FN3O12P3.C13H21FN3O12P3.C12H20ClFN3O12P3.C10H13ClFN2O8P/c1-9(2)4-6-15(8-28-33(24,25)31-34(26,27)30-32(21,22)23)13(20)12(16)14(29-15)19-7-5-11(17)18-10(19)3;2*1-3-4-6-14(8-27-32(23,24)30-33(25,26)29-31(20,21)22)12(19)11(15)13(28-14)18-7-5-10(16)17-9(18)2;2*1-7(2)13(6-26-31(22,23)29-32(24,25)28-30(19,20)21)11(18)10(14)12(27-13)17-5-4-9(15)16-8(17)3;1-7-16-8(15-2)3-4-17(7)11-9(14)10(18)12(5-13,27-11)6-26-31(22,23)29-32(24,25)28-30(19,20)21;11-3-10(4-21-23(18,19)20)7(16)6(12)8(22-10)14-2-1-5(15)13-9(14)17/h5,7,9,12-14,20H,3-4,6,8H2,1-2H3,(H2,17,18)(H,24,25)(H,26,27)(H2,21,22,23);5,7,11-13,19H,2-4,6,8H2,1H3,(H2,16,17)(H,23,24)(H,25,26)(H2,20,21,22);4-7,11-13,19H,2-3,8H2,1H3,(H2,16,17)(H,23,24)(H,25,26)(H2,20,21,22);4-5,7,10-12,18H,3,6H2,1-2H3,(H2,15,16)(H,22,23)(H,24,25)(H2,19,20,21);4-5,10-12,18H,1,3,6H2,2H3,(H2,15,16)(H,22,23)(H,24,25)(H2,19,20,21);3-4,9-11,18H,1,5-6H2,2H3,(H,15,16)(H,22,23)(H,24,25)(H2,19,20,21);1-2,6-8,16H,3-4H2,(H,13,15,17)(H2,18,19,20)/b;;6-4+;;;;/t12-,13+,14-,15-;2*11-,12+,13-,14-;2*10-,11+,12-,13+;9-,10+,11-,12-;6-,7+,8-,10-/m1111111/s1
InChIKeySPHOJZPORDZDEA-BPZFUMKGSA-N
MW3598.67 g/mol
LogP2.86
Rot. Bonds64

About [[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[(E)-but-1-enyl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-butyl-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-(3-methylbutyl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-propan-2-yloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-prop-1-en-2-yloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(2R,3R,4R,5R)-2-(chloromethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;[[(2R,3R,4R,5R)-2-(chloromethyl)-4-fluoro-3-hydroxy-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[(E)-but-1-enyl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-butyl-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-(3-methylbutyl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-propan-2-yloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-prop-1-en-2-yloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(2R,3R,4R,5R)-2-(chloromethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;[[(2R,3R,4R,5R)-2-(chloromethyl)-4-fluoro-3-hydroxy-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate (PubChem CID 160899450) has the molecular formula C91H152Cl2F7N20O80P19 and a molecular weight of 3598.67 g/mol. Its IUPAC name is [[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[(E)-but-1-enyl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-butyl-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-(3-methylbutyl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-propan-2-yloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-prop-1-en-2-yloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(2R,3R,4R,5R)-2-(chloromethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;[[(2R,3R,4R,5R)-2-(chloromethyl)-4-fluoro-3-hydroxy-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.

Molecular Properties

Compound Name[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[(E)-but-1-enyl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-butyl-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-(3-methylbutyl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-propan-2-yloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-prop-1-en-2-yloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(2R,3R,4R,5R)-2-(chloromethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;[[(2R,3R,4R,5R)-2-(chloromethyl)-4-fluoro-3-hydroxy-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
PubChem CID160899450
Molecular FormulaC91H152Cl2F7N20O80P19
Molecular Weight3598.67 g/mol
Exact Mass3596.27
IUPAC Name[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[(E)-but-1-enyl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-butyl-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-(3-methylbutyl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-propan-2-yloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-prop-1-en-2-yloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(2R,3R,4R,5R)-2-(chloromethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;[[(2R,3R,4R,5R)-2-(chloromethyl)-4-fluoro-3-hydroxy-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
SMILESC=C1N/C(=N/C)C=CN1[C@@H]1O[C@](CCl)(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1F.C=C1N=C(N)C=CN1[C@@H]1O[C@@](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)(C(=C)C)[C@@H](O)[C@H]1F.C=C1N=C(N)C=CN1[C@@H]1O[C@@](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)(C(C)C)[C@@H](O)[C@H]1F.C=C1N=C(N)C=CN1[C@@H]1O[C@](/C=C/CC)(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1F.C=C1N=C(N)C=CN1[C@@H]1O[C@](CCC(C)C)(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1F.C=C1N=C(N)C=CN1[C@@H]1O[C@](CCCC)(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1F.O=c1ccn([C@@H]2O[C@](CCl)(COP(=O)(O)O)[C@@H](O)[C@H]2F)c(=O)[nH]1
InChIInChI=1S/C15H27FN3O12P3.C14H25FN3O12P3.C14H23FN3O12P3.C13H23FN3O12P3.C13H21FN3O12P3.C12H20ClFN3O12P3.C10H13ClFN2O8P/c1-9(2)4-6-15(8-28-33(24,25)31-34(26,27)30-32(21,22)23)13(20)12(16)14(29-15)19-7-5-11(17)18-10(19)3;2*1-3-4-6-14(8-27-32(23,24)30-33(25,26)29-31(20,21)22)12(19)11(15)13(28-14)18-7-5-10(16)17-9(18)2;2*1-7(2)13(6-26-31(22,23)29-32(24,25)28-30(19,20)21)11(18)10(14)12(27-13)17-5-4-9(15)16-8(17)3;1-7-16-8(15-2)3-4-17(7)11-9(14)10(18)12(5-13,27-11)6-26-31(22,23)29-32(24,25)28-30(19,20)21;11-3-10(4-21-23(18,19)20)7(16)6(12)8(22-10)14-2-1-5(15)13-9(14)17/h5,7,9,12-14,20H,3-4,6,8H2,1-2H3,(H2,17,18)(H,24,25)(H,26,27)(H2,21,22,23);5,7,11-13,19H,2-4,6,8H2,1H3,(H2,16,17)(H,23,24)(H,25,26)(H2,20,21,22);4-7,11-13,19H,2-3,8H2,1H3,(H2,16,17)(H,23,24)(H,25,26)(H2,20,21,22);4-5,7,10-12,18H,3,6H2,1-2H3,(H2,15,16)(H,22,23)(H,24,25)(H2,19,20,21);4-5,10-12,18H,1,3,6H2,2H3,(H2,15,16)(H,22,23)(H,24,25)(H2,19,20,21);3-4,9-11,18H,1,5-6H2,2H3,(H,15,16)(H,22,23)(H,24,25)(H2,19,20,21);1-2,6-8,16H,3-4H2,(H,13,15,17)(H2,18,19,20)/b;;6-4+;;;;/t12-,13+,14-,15-;2*11-,12+,13-,14-;2*10-,11+,12-,13+;9-,10+,11-,12-;6-,7+,8-,10-/m1111111/s1
InChIKeySPHOJZPORDZDEA-BPZFUMKGSA-N
XLogP2.86
TPSA1522.49 Ų
H-Bond Donors40
H-Bond Acceptors72
Rotatable Bonds64
Heavy Atoms219
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003598.67
LogP ≤ 52.86
H-Bond Donors ≤ 540
H-Bond Acceptors ≤ 1072

Analyze [[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[(E)-but-1-enyl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-butyl-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-(3-methylbutyl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-propan-2-yloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-prop-1-en-2-yloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(2R,3R,4R,5R)-2-(chloromethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;[[(2R,3R,4R,5R)-2-(chloromethyl)-4-fluoro-3-hydroxy-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate with MolForge

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Related Compounds

[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[(E)-but-1-enyl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-propan-2-yloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-prop-1-en-2-yloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-3-hydroxy-2-(3-methylbutyl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 161230750
[[(2R,3R,4S,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(bromomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 121430179
[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 71621354
[[(2R,3R,4R,5R)-2-(diazenylmethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 126723894
[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-(azidomethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-2-(azidomethyl)-4-fluoro-3-hydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate;[[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(2S,3S,4R,5R)-2-fluoro-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-2-(fluoromethyl)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 160582438
[[(2R,3R,4R,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-2-ethyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 126759269
[(2R,3R,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
CID 118595882
[[(2R,3R,4S,5R)-2-(chloromethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 118595245
[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethenyl-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 121245855
[[2-(chloromethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-ethenyl-4-fluoro-3-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 123412473
[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethenyl-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 71622237
[[2-(chloromethyl)-5-(2,4-dioxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-methylphosphinic acid
CID 123669357

Frequently Asked Questions

What is the IUPAC name of [[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[(E)-but-1-enyl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-butyl-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-(3-methylbutyl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-propan-2-yloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-prop-1-en-2-yloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(2R,3R,4R,5R)-2-(chloromethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;[[(2R,3R,4R,5R)-2-(chloromethyl)-4-fluoro-3-hydroxy-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate?
The IUPAC name of [[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[(E)-but-1-enyl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-butyl-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-(3-methylbutyl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-propan-2-yloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-prop-1-en-2-yloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(2R,3R,4R,5R)-2-(chloromethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;[[(2R,3R,4R,5R)-2-(chloromethyl)-4-fluoro-3-hydroxy-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate (CID 160899450) is [[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[(E)-but-1-enyl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-butyl-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-(3-methylbutyl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-propan-2-yloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-prop-1-en-2-yloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(2R,3R,4R,5R)-2-(chloromethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;[[(2R,3R,4R,5R)-2-(chloromethyl)-4-fluoro-3-hydroxy-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.
What is the SMILES notation for [[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[(E)-but-1-enyl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-butyl-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-(3-methylbutyl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-propan-2-yloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-prop-1-en-2-yloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(2R,3R,4R,5R)-2-(chloromethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;[[(2R,3R,4R,5R)-2-(chloromethyl)-4-fluoro-3-hydroxy-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate?
The canonical SMILES for [[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[(E)-but-1-enyl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-butyl-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-(3-methylbutyl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-propan-2-yloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-prop-1-en-2-yloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(2R,3R,4R,5R)-2-(chloromethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;[[(2R,3R,4R,5R)-2-(chloromethyl)-4-fluoro-3-hydroxy-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate is C=C1N/C(=N/C)C=CN1[C@@H]1O[C@](CCl)(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1F.C=C1N=C(N)C=CN1[C@@H]1O[C@@](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)(C(=C)C)[C@@H](O)[C@H]1F.C=C1N=C(N)C=CN1[C@@H]1O[C@@](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)(C(C)C)[C@@H](O)[C@H]1F.C=C1N=C(N)C=CN1[C@@H]1O[C@](/C=C/CC)(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1F.C=C1N=C(N)C=CN1[C@@H]1O[C@](CCC(C)C)(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1F.C=C1N=C(N)C=CN1[C@@H]1O[C@](CCCC)(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1F.O=c1ccn([C@@H]2O[C@](CCl)(COP(=O)(O)O)[C@@H](O)[C@H]2F)c(=O)[nH]1.
What is the InChIKey of [[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[(E)-but-1-enyl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-butyl-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-(3-methylbutyl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-propan-2-yloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-prop-1-en-2-yloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(2R,3R,4R,5R)-2-(chloromethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;[[(2R,3R,4R,5R)-2-(chloromethyl)-4-fluoro-3-hydroxy-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate?
The InChIKey is SPHOJZPORDZDEA-BPZFUMKGSA-N. The full InChI is InChI=1S/C15H27FN3O12P3.C14H25FN3O12P3.C14H23FN3O12P3.C13H23FN3O12P3.C13H21FN3O12P3.C12H20ClFN3O12P3.C10H13ClFN2O8P/c1-9(2)4-6-15(8-28-33(24,25)31-34(26,27)30-32(21,22)23)13(20)12(16)14(29-15)19-7-5-11(17)18-10(19)3;2*1-3-4-6-14(8-27-32(23,24)30-33(25,26)29-31(20,21)22)12(19)11(15)13(28-14)18-7-5-10(16)17-9(18)2;2*1-7(2)13(6-26-31(22,23)29-32(24,25)28-30(19,20)21)11(18)10(14)12(27-13)17-5-4-9(15)16-8(17)3;1-7-16-8(15-2)3-4-17(7)11-9(14)10(18)12(5-13,27-11)6-26-31(22,23)29-32(24,25)28-30(19,20)21;11-3-10(4-21-23(18,19)20)7(16)6(12)8(22-10)14-2-1-5(15)13-9(14)17/h5,7,9,12-14,20H,3-4,6,8H2,1-2H3,(H2,17,18)(H,24,25)(H,26,27)(H2,21,22,23);5,7,11-13,19H,2-4,6,8H2,1H3,(H2,16,17)(H,23,24)(H,25,26)(H2,20,21,22);4-7,11-13,19H,2-3,8H2,1H3,(H2,16,17)(H,23,24)(H,25,26)(H2,20,21,22);4-5,7,10-12,18H,3,6H2,1-2H3,(H2,15,16)(H,22,23)(H,24,25)(H2,19,20,21);4-5,10-12,18H,1,3,6H2,2H3,(H2,15,16)(H,22,23)(H,24,25)(H2,19,20,21);3-4,9-11,18H,1,5-6H2,2H3,(H,15,16)(H,22,23)(H,24,25)(H2,19,20,21);1-2,6-8,16H,3-4H2,(H,13,15,17)(H2,18,19,20)/b;;6-4+;;;;/t12-,13+,14-,15-;2*11-,12+,13-,14-;2*10-,11+,12-,13+;9-,10+,11-,12-;6-,7+,8-,10-/m1111111/s1.
What are the key properties of [[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[(E)-but-1-enyl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-butyl-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-(3-methylbutyl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-propan-2-yloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-prop-1-en-2-yloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(2R,3R,4R,5R)-2-(chloromethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;[[(2R,3R,4R,5R)-2-(chloromethyl)-4-fluoro-3-hydroxy-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate?
[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[(E)-but-1-enyl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-butyl-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-(3-methylbutyl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-propan-2-yloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-prop-1-en-2-yloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(2R,3R,4R,5R)-2-(chloromethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;[[(2R,3R,4R,5R)-2-(chloromethyl)-4-fluoro-3-hydroxy-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate has a molecular weight of 3598.67 g/mol, XLogP of 2.86, 64 rotatable bonds, 40 hydrogen bond donors, and 72 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-[(E)-but-1-enyl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-2-butyl-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-(3-methylbutyl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-propan-2-yloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,4R,5R)-5-(4-amino-2-methylidenepyrimidin-1-yl)-4-fluoro-3-hydroxy-2-prop-1-en-2-yloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(2R,3R,4R,5R)-2-(chloromethyl)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;[[(2R,3R,4R,5R)-2-(chloromethyl)-4-fluoro-3-hydroxy-5-(2-methylidene-4-methyliminopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate is sourced from PubChem (CID 160899450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).