[[(2R,5R)-5-[3-[[4-(3-aminophenyl)-2-pyridinyl]methyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[3-[[4-(4-aminophenyl)-2-pyridinyl]methyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(3-phenyl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(5-phenyl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(6-phenyl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(4-pyridin-4-yl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

C125H145N21O90P18 — CID 159509791

IUPAC[[(2R,5R)-5-[3-[[4-(3-aminophenyl)-2-pyridinyl]methyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[3-[[4-(4-aminophenyl)-2-pyridinyl]methyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(3-phenyl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(5-phenyl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(6-phenyl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(4-pyridin-4-yl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
SMILESNc1ccc(-c2ccnc(Cn3c(=O)ccn([C@@H]4O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C4O)c3=O)c2)cc1.Nc1cccc(-c2ccnc(Cn3c(=O)ccn([C@@H]4O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C4O)c3=O)c2)c1.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1Cc1cc(-c2ccncc2)ccn1.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1Cc1ccc(-c2ccccc2)cn1.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1Cc1cccc(-c2ccccc2)n1.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1Cc1ncccc1-c1ccccc1
InChIInChI=1S/2C21H25N4O15P3.3C21H24N3O15P3.C20H23N4O15P3/c22-14-3-1-12(2-4-14)13-5-7-23-15(9-13)10-25-17(26)6-8-24(21(25)29)20-19(28)18(27)16(38-20)11-37-42(33,34)40-43(35,36)39-41(30,31)32;22-14-3-1-2-12(8-14)13-4-6-23-15(9-13)10-25-17(26)5-7-24(21(25)29)20-19(28)18(27)16(38-20)11-37-42(33,34)40-43(35,36)39-41(30,31)32;25-17-8-10-23(21(28)24(17)11-15-14(7-4-9-22-15)13-5-2-1-3-6-13)20-19(27)18(26)16(37-20)12-36-41(32,33)39-42(34,35)38-40(29,30)31;25-17-9-10-23(21(28)24(17)11-14-7-4-8-15(22-14)13-5-2-1-3-6-13)20-19(27)18(26)16(37-20)12-36-41(32,33)39-42(34,35)38-40(29,30)31;25-17-8-9-23(21(28)24(17)11-15-7-6-14(10-22-15)13-4-2-1-3-5-13)20-19(27)18(26)16(37-20)12-36-41(32,33)39-42(34,35)38-40(29,30)31;25-16-4-8-23(20(28)24(16)10-14-9-13(3-7-22-14)12-1-5-21-6-2-12)19-18(27)17(26)15(37-19)11-36-41(32,33)39-42(34,35)38-40(29,30)31/h2*1-9,16,18-20,27-28H,10-11,22H2,(H,33,34)(H,35,36)(H2,30,31,32);3*1-10,16,18-20,26-27H,11-12H2,(H,32,33)(H,34,35)(H2,29,30,31);1-9,15,17-19,26-27H,10-11H2,(H,32,33)(H,34,35)(H2,29,30,31)/t5*16-,18?,19?,20-;15-,17?,18?,19-/m111111/s1
InChIKeyMALJGWTZQIJLSR-NHPQANJISA-N
MW3939.12 g/mol
LogP-0.94
Rot. Bonds66

About [[(2R,5R)-5-[3-[[4-(3-aminophenyl)-2-pyridinyl]methyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[3-[[4-(4-aminophenyl)-2-pyridinyl]methyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(3-phenyl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(5-phenyl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(6-phenyl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(4-pyridin-4-yl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

[[(2R,5R)-5-[3-[[4-(3-aminophenyl)-2-pyridinyl]methyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[3-[[4-(4-aminophenyl)-2-pyridinyl]methyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(3-phenyl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(5-phenyl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(6-phenyl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(4-pyridin-4-yl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate (PubChem CID 159509791) has the molecular formula C125H145N21O90P18 and a molecular weight of 3939.12 g/mol. Its IUPAC name is [[(2R,5R)-5-[3-[[4-(3-aminophenyl)-2-pyridinyl]methyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[3-[[4-(4-aminophenyl)-2-pyridinyl]methyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(3-phenyl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(5-phenyl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(6-phenyl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(4-pyridin-4-yl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.

Molecular Properties

Compound Name[[(2R,5R)-5-[3-[[4-(3-aminophenyl)-2-pyridinyl]methyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[3-[[4-(4-aminophenyl)-2-pyridinyl]methyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(3-phenyl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(5-phenyl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(6-phenyl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(4-pyridin-4-yl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
PubChem CID159509791
Molecular FormulaC125H145N21O90P18
Molecular Weight3939.12 g/mol
Exact Mass3937.27
IUPAC Name[[(2R,5R)-5-[3-[[4-(3-aminophenyl)-2-pyridinyl]methyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[3-[[4-(4-aminophenyl)-2-pyridinyl]methyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(3-phenyl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(5-phenyl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(6-phenyl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(4-pyridin-4-yl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
SMILESNc1ccc(-c2ccnc(Cn3c(=O)ccn([C@@H]4O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C4O)c3=O)c2)cc1.Nc1cccc(-c2ccnc(Cn3c(=O)ccn([C@@H]4O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C4O)c3=O)c2)c1.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1Cc1cc(-c2ccncc2)ccn1.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1Cc1ccc(-c2ccccc2)cn1.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1Cc1cccc(-c2ccccc2)n1.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1Cc1ncccc1-c1ccccc1
InChIInChI=1S/2C21H25N4O15P3.3C21H24N3O15P3.C20H23N4O15P3/c22-14-3-1-12(2-4-14)13-5-7-23-15(9-13)10-25-17(26)6-8-24(21(25)29)20-19(28)18(27)16(38-20)11-37-42(33,34)40-43(35,36)39-41(30,31)32;22-14-3-1-2-12(8-14)13-4-6-23-15(9-13)10-25-17(26)5-7-24(21(25)29)20-19(28)18(27)16(38-20)11-37-42(33,34)40-43(35,36)39-41(30,31)32;25-17-8-10-23(21(28)24(17)11-15-14(7-4-9-22-15)13-5-2-1-3-6-13)20-19(27)18(26)16(37-20)12-36-41(32,33)39-42(34,35)38-40(29,30)31;25-17-9-10-23(21(28)24(17)11-14-7-4-8-15(22-14)13-5-2-1-3-6-13)20-19(27)18(26)16(37-20)12-36-41(32,33)39-42(34,35)38-40(29,30)31;25-17-8-9-23(21(28)24(17)11-15-7-6-14(10-22-15)13-4-2-1-3-5-13)20-19(27)18(26)16(37-20)12-36-41(32,33)39-42(34,35)38-40(29,30)31;25-16-4-8-23(20(28)24(16)10-14-9-13(3-7-22-14)12-1-5-21-6-2-12)19-18(27)17(26)15(37-19)11-36-41(32,33)39-42(34,35)38-40(29,30)31/h2*1-9,16,18-20,27-28H,10-11,22H2,(H,33,34)(H,35,36)(H2,30,31,32);3*1-10,16,18-20,26-27H,11-12H2,(H,32,33)(H,34,35)(H2,29,30,31);1-9,15,17-19,26-27H,10-11H2,(H,32,33)(H,34,35)(H2,29,30,31)/t5*16-,18?,19?,20-;15-,17?,18?,19-/m111111/s1
InChIKeyMALJGWTZQIJLSR-NHPQANJISA-N
XLogP-0.94
TPSA1663.33 Ų
H-Bond Donors38
H-Bond Acceptors87
Rotatable Bonds66
Heavy Atoms254
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003939.12
LogP ≤ 5-0.94
H-Bond Donors ≤ 538
H-Bond Acceptors ≤ 1087

Analyze [[(2R,5R)-5-[3-[[4-(3-aminophenyl)-2-pyridinyl]methyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[3-[[4-(4-aminophenyl)-2-pyridinyl]methyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(3-phenyl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(5-phenyl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(6-phenyl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(4-pyridin-4-yl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(3-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(6-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(4-pyridin-2-yl-2-pyridinyl)methyl]pyrimidine-2,4-dione;1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(4-pyridin-4-yl-2-pyridinyl)methyl]pyrimidine-2,4-dione
CID 158614385
[(2R,5R)-5-[3-[[4-(4-fluorophenyl)-2-pyridinyl]methyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
CID 153318960
[[(2R,5R)-3,4-dihydroxy-5-[3-[(6-methyl-4-phenyl-2-pyridinyl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 153318891
[(2R,5R)-3,4-dihydroxy-5-[3-[(3-methyl-4-phenyl-2-pyridinyl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate
CID 153318928
[(2R,5R)-5-[3-[[4-(2-aminophenyl)-2-pyridinyl]methyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 153318980
3-[[4-(4-aminophenyl)-2-pyridinyl]methyl]-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 134383929
[[(2R,3R,4S,5R)-5-(3-benzyl-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 148945727
1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(6-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione
CID 142312351
[(2R,5R)-3,4-dihydroxy-5-[3-[(6-methyl-4-phenyl-2-pyridinyl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl dihydrogen phosphate
CID 153318914
[[(2R,3R,5R)-5-[3-(1,2-benzoxazol-3-ylmethyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 140855136
[[(4S)-5-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate
CID 140617310
[5-[2,4-dioxo-3-[(4-pyridin-2-yl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphite
CID 142312321

Frequently Asked Questions

What is the IUPAC name of [[(2R,5R)-5-[3-[[4-(3-aminophenyl)-2-pyridinyl]methyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[3-[[4-(4-aminophenyl)-2-pyridinyl]methyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(3-phenyl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(5-phenyl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(6-phenyl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(4-pyridin-4-yl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate?
The IUPAC name of [[(2R,5R)-5-[3-[[4-(3-aminophenyl)-2-pyridinyl]methyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[3-[[4-(4-aminophenyl)-2-pyridinyl]methyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(3-phenyl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(5-phenyl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(6-phenyl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(4-pyridin-4-yl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate (CID 159509791) is [[(2R,5R)-5-[3-[[4-(3-aminophenyl)-2-pyridinyl]methyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[3-[[4-(4-aminophenyl)-2-pyridinyl]methyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(3-phenyl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(5-phenyl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(6-phenyl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(4-pyridin-4-yl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.
What is the SMILES notation for [[(2R,5R)-5-[3-[[4-(3-aminophenyl)-2-pyridinyl]methyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[3-[[4-(4-aminophenyl)-2-pyridinyl]methyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(3-phenyl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(5-phenyl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(6-phenyl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(4-pyridin-4-yl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate?
The canonical SMILES for [[(2R,5R)-5-[3-[[4-(3-aminophenyl)-2-pyridinyl]methyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[3-[[4-(4-aminophenyl)-2-pyridinyl]methyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(3-phenyl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(5-phenyl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(6-phenyl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(4-pyridin-4-yl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate is Nc1ccc(-c2ccnc(Cn3c(=O)ccn([C@@H]4O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C4O)c3=O)c2)cc1.Nc1cccc(-c2ccnc(Cn3c(=O)ccn([C@@H]4O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C4O)c3=O)c2)c1.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1Cc1cc(-c2ccncc2)ccn1.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1Cc1ccc(-c2ccccc2)cn1.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1Cc1cccc(-c2ccccc2)n1.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1Cc1ncccc1-c1ccccc1.
What is the InChIKey of [[(2R,5R)-5-[3-[[4-(3-aminophenyl)-2-pyridinyl]methyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[3-[[4-(4-aminophenyl)-2-pyridinyl]methyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(3-phenyl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(5-phenyl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(6-phenyl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(4-pyridin-4-yl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate?
The InChIKey is MALJGWTZQIJLSR-NHPQANJISA-N. The full InChI is InChI=1S/2C21H25N4O15P3.3C21H24N3O15P3.C20H23N4O15P3/c22-14-3-1-12(2-4-14)13-5-7-23-15(9-13)10-25-17(26)6-8-24(21(25)29)20-19(28)18(27)16(38-20)11-37-42(33,34)40-43(35,36)39-41(30,31)32;22-14-3-1-2-12(8-14)13-4-6-23-15(9-13)10-25-17(26)5-7-24(21(25)29)20-19(28)18(27)16(38-20)11-37-42(33,34)40-43(35,36)39-41(30,31)32;25-17-8-10-23(21(28)24(17)11-15-14(7-4-9-22-15)13-5-2-1-3-6-13)20-19(27)18(26)16(37-20)12-36-41(32,33)39-42(34,35)38-40(29,30)31;25-17-9-10-23(21(28)24(17)11-14-7-4-8-15(22-14)13-5-2-1-3-6-13)20-19(27)18(26)16(37-20)12-36-41(32,33)39-42(34,35)38-40(29,30)31;25-17-8-9-23(21(28)24(17)11-15-7-6-14(10-22-15)13-4-2-1-3-5-13)20-19(27)18(26)16(37-20)12-36-41(32,33)39-42(34,35)38-40(29,30)31;25-16-4-8-23(20(28)24(16)10-14-9-13(3-7-22-14)12-1-5-21-6-2-12)19-18(27)17(26)15(37-19)11-36-41(32,33)39-42(34,35)38-40(29,30)31/h2*1-9,16,18-20,27-28H,10-11,22H2,(H,33,34)(H,35,36)(H2,30,31,32);3*1-10,16,18-20,26-27H,11-12H2,(H,32,33)(H,34,35)(H2,29,30,31);1-9,15,17-19,26-27H,10-11H2,(H,32,33)(H,34,35)(H2,29,30,31)/t5*16-,18?,19?,20-;15-,17?,18?,19-/m111111/s1.
What are the key properties of [[(2R,5R)-5-[3-[[4-(3-aminophenyl)-2-pyridinyl]methyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[3-[[4-(4-aminophenyl)-2-pyridinyl]methyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(3-phenyl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(5-phenyl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(6-phenyl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(4-pyridin-4-yl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate?
[[(2R,5R)-5-[3-[[4-(3-aminophenyl)-2-pyridinyl]methyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[3-[[4-(4-aminophenyl)-2-pyridinyl]methyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(3-phenyl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(5-phenyl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(6-phenyl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(4-pyridin-4-yl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate has a molecular weight of 3939.12 g/mol, XLogP of -0.94, 66 rotatable bonds, 38 hydrogen bond donors, and 87 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2R,5R)-5-[3-[[4-(3-aminophenyl)-2-pyridinyl]methyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[3-[[4-(4-aminophenyl)-2-pyridinyl]methyl]-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(3-phenyl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(5-phenyl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(6-phenyl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[2,4-dioxo-3-[(4-pyridin-4-yl-2-pyridinyl)methyl]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate is sourced from PubChem (CID 159509791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).