[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-trihydroxyphosphanium;[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxy-oxophosphanium;1-O-[(2R,3S,4R,5R)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-[4-carbamimidoyl-5-(methylideneamino)imidazol-1-yl]-4-hydroxyoxolan-3-yl] 4-O-[2-(ethyldisulfanyl)-6-methylphenyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate;1-O-(cyanomethyl) 4-O-[2-(ethyldisulfanyl)-6-methylphenyl] (2S)-2-methylbutanedioate;[2-(ethyldisulfanyl)-6-methylphenyl] (3S)-3-amino-4-[(2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-hydroxyethoxy]-3-hydroxypropoxy]-4-hydroxybutanoate

C104H143N27O51P6S6+2 — CID 158390939

About [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-trihydroxyphosphanium;[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxy-oxophosphanium;1-O-[(2R,3S,4R,5R)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-[4-carbamimidoyl-5-(methylideneamino)imidazol-1-yl]-4-hydroxyoxolan-3-yl] 4-O-[2-(ethyldisulfanyl)-6-methylphenyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate;1-O-(cyanomethyl) 4-O-[2-(ethyldisulfanyl)-6-methylphenyl] (2S)-2-methylbutanedioate;[2-(ethyldisulfanyl)-6-methylphenyl] (3S)-3-amino-4-[(2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-hydroxyethoxy]-3-hydroxypropoxy]-4-hydroxybutanoate

[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-trihydroxyphosphanium;[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxy-oxophosphanium;1-O-[(2R,3S,4R,5R)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-[4-carbamimidoyl-5-(methylideneamino)imidazol-1-yl]-4-hydroxyoxolan-3-yl] 4-O-[2-(ethyldisulfanyl)-6-methylphenyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate;1-O-(cyanomethyl) 4-O-[2-(ethyldisulfanyl)-6-methylphenyl] (2S)-2-methylbutanedioate;[2-(ethyldisulfanyl)-6-methylphenyl] (3S)-3-amino-4-[(2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-hydroxyethoxy]-3-hydroxypropoxy]-4-hydroxybutanoate (PubChem CID 158390939) has the molecular formula C104H143N27O51P6S6+2 and a molecular weight of 2965.67 g/mol. Its IUPAC name is [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-trihydroxyphosphanium;[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxy-oxophosphanium;1-O-[(2R,3S,4R,5R)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-[4-carbamimidoyl-5-(methylideneamino)imidazol-1-yl]-4-hydroxyoxolan-3-yl] 4-O-[2-(ethyldisulfanyl)-6-methylphenyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate;1-O-(cyanomethyl) 4-O-[2-(ethyldisulfanyl)-6-methylphenyl] (2S)-2-methylbutanedioate;[2-(ethyldisulfanyl)-6-methylphenyl] (3S)-3-amino-4-[(2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-hydroxyethoxy]-3-hydroxypropoxy]-4-hydroxybutanoate.

Molecular Properties

• Compound Name: [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-trihydroxyphosphanium;[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxy-oxophosphanium;1-O-[(2R,3S,4R,5R)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-[4-carbamimidoyl-5-(methylideneamino)imidazol-1-yl]-4-hydroxyoxolan-3-yl] 4-O-[2-(ethyldisulfanyl)-6-methylphenyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate;1-O-(cyanomethyl) 4-O-[2-(ethyldisulfanyl)-6-methylphenyl] (2S)-2-methylbutanedioate;[2-(ethyldisulfanyl)-6-methylphenyl] (3S)-3-amino-4-[(2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-hydroxyethoxy]-3-hydroxypropoxy]-4-hydroxybutanoate
• PubChem CID: 158390939
• Molecular Formula: C104H143N27O51P6S6+2
• Molecular Weight: 2965.67 g/mol
• Exact Mass: 2963.62
• IUPAC Name: [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-trihydroxyphosphanium;[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxy-oxophosphanium;1-O-[(2R,3S,4R,5R)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-[4-carbamimidoyl-5-(methylideneamino)imidazol-1-yl]-4-hydroxyoxolan-3-yl] 4-O-[2-(ethyldisulfanyl)-6-methylphenyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate;1-O-(cyanomethyl) 4-O-[2-(ethyldisulfanyl)-6-methylphenyl] (2S)-2-methylbutanedioate;[2-(ethyldisulfanyl)-6-methylphenyl] (3S)-3-amino-4-[(2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-hydroxyethoxy]-3-hydroxypropoxy]-4-hydroxybutanoate
• SMILES: CCSSc1cccc(C)c1OC(=O)C[C@H](C)C(=O)OCC#N.CCSSc1cccc(C)c1OC(=O)C[C@H](N)C(O)OC[C@@H](CO)O[C@H](CO)n1cnc2c(N)ncnc21.Nc1ccn([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](CO[P+](O)(O)O)O2)c(=O)n1.Nc1ccn([C@H]2C[C@H](O[P+](=O)O)[C@@H](COP(=O)(O)O)O2)c(=O)n1.[H]/N=C(\N)c1ncn([C@@H]2O[C@H](COP(=O)(O)O[C@H]3C[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(O)O)[C@@H](OC(=O)[C@H](CC(=O)Oc3c(C)cccc3SSCC)NC(=O)OC(C)(C)C)[C@H]2O)c1N=C
• InChI: InChI=1S/C37H51N9O18P2S2.C23H32N6O7S2.C19H26N8O13P2.C16H19NO4S2.C9H13N3O9P2/c1-7-67-68-23-10-8-9-18(2)29(23)61-26(47)13-19(43-36(51)63-37(3,4)5)34(49)62-30-22(60-33(28(30)48)46-17-42-27(31(39)40)32(46)41-6)16-58-66(55,56)64-20-14-25(45-12-11-24(38)44-35(45)50)59-21(20)15-57-65(52,53)54;1-3-37-38-16-6-4-5-13(2)20(16)36-18(32)7-15(24)23(33)34-10-14(8-30)35-17(9-31)29-12-28-19-21(25)26-11-27-22(19)29;20-11-1-2-26(19(30)25-11)12-3-8(9(38-12)4-36-41(31,32)33)40-42(34,35)37-5-10-14(28)15(29)18(39-10)27-7-24-13-16(21)22-6-23-17(13)27;1-4-22-23-13-7-5-6-11(2)15(13)21-14(18)10-12(3)16(19)20-9-8-17;10-7-1-2-12(9(13)11-7)8-3-5(21-22(14)15)6(20-8)4-19-23(16,17)18/h8-12,17,19-22,25,28,30,33,48H,6-7,13-16H2,1-5H3,(H3,39,40)(H,43,51)(H,55,56)(H2,38,44,50)(H2,52,53,54);4-6,11-12,14-15,17,23,30-31,33H,3,7-10,24H2,1-2H3,(H2,25,26,27);1-2,6-10,12,14-15,18,28-29,31-33H,3-5H2,(H4-,20,21,22,23,25,30,34,35);5-7,12H,4,9-10H2,1-3H3;1-2,5-6,8H,3-4H2,(H4-,10,11,13,14,15,16,17,18)/p+2/t19-,20-,21+,22+,25+,28+,30+,33+;14-,15+,17-,23?;8-,9+,10+,12+,14+,15+,18+;12-;5-,6+,8+/m01000/s1
• InChIKey: ATXJYPBHMSKSQJ-DWHRNIIFSA-P
• XLogP: 3.71
• TPSA: 1169.14 Ų
• H-Bond Donors: 25
• H-Bond Acceptors: 75
• Rotatable Bonds: 60
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2965.67
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	25
H-Bond Acceptors ≤ 10	75

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-trihydroxyphosphanium;[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxy-oxophosphanium;1-O-[(2R,3S,4R,5R)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-[4-carbamimidoyl-5-(methylideneamino)imidazol-1-yl]-4-hydroxyoxolan-3-yl] 4-O-[2-(ethyldisulfanyl)-6-methylphenyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate;1-O-(cyanomethyl) 4-O-[2-(ethyldisulfanyl)-6-methylphenyl] (2S)-2-methylbutanedioate;[2-(ethyldisulfanyl)-6-methylphenyl] (3S)-3-amino-4-[(2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-hydroxyethoxy]-3-hydroxypropoxy]-4-hydroxybutanoate?

The IUPAC name of [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-trihydroxyphosphanium;[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxy-oxophosphanium;1-O-[(2R,3S,4R,5R)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-[4-carbamimidoyl-5-(methylideneamino)imidazol-1-yl]-4-hydroxyoxolan-3-yl] 4-O-[2-(ethyldisulfanyl)-6-methylphenyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate;1-O-(cyanomethyl) 4-O-[2-(ethyldisulfanyl)-6-methylphenyl] (2S)-2-methylbutanedioate;[2-(ethyldisulfanyl)-6-methylphenyl] (3S)-3-amino-4-[(2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-hydroxyethoxy]-3-hydroxypropoxy]-4-hydroxybutanoate (CID 158390939) is [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-trihydroxyphosphanium;[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxy-oxophosphanium;1-O-[(2R,3S,4R,5R)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-[4-carbamimidoyl-5-(methylideneamino)imidazol-1-yl]-4-hydroxyoxolan-3-yl] 4-O-[2-(ethyldisulfanyl)-6-methylphenyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate;1-O-(cyanomethyl) 4-O-[2-(ethyldisulfanyl)-6-methylphenyl] (2S)-2-methylbutanedioate;[2-(ethyldisulfanyl)-6-methylphenyl] (3S)-3-amino-4-[(2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-hydroxyethoxy]-3-hydroxypropoxy]-4-hydroxybutanoate.

What is the SMILES notation for [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-trihydroxyphosphanium;[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxy-oxophosphanium;1-O-[(2R,3S,4R,5R)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-[4-carbamimidoyl-5-(methylideneamino)imidazol-1-yl]-4-hydroxyoxolan-3-yl] 4-O-[2-(ethyldisulfanyl)-6-methylphenyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate;1-O-(cyanomethyl) 4-O-[2-(ethyldisulfanyl)-6-methylphenyl] (2S)-2-methylbutanedioate;[2-(ethyldisulfanyl)-6-methylphenyl] (3S)-3-amino-4-[(2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-hydroxyethoxy]-3-hydroxypropoxy]-4-hydroxybutanoate?

The canonical SMILES for [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-trihydroxyphosphanium;[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxy-oxophosphanium;1-O-[(2R,3S,4R,5R)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-[4-carbamimidoyl-5-(methylideneamino)imidazol-1-yl]-4-hydroxyoxolan-3-yl] 4-O-[2-(ethyldisulfanyl)-6-methylphenyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate;1-O-(cyanomethyl) 4-O-[2-(ethyldisulfanyl)-6-methylphenyl] (2S)-2-methylbutanedioate;[2-(ethyldisulfanyl)-6-methylphenyl] (3S)-3-amino-4-[(2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-hydroxyethoxy]-3-hydroxypropoxy]-4-hydroxybutanoate is CCSSc1cccc(C)c1OC(=O)C[C@H](C)C(=O)OCC#N.CCSSc1cccc(C)c1OC(=O)C[C@H](N)C(O)OC[C@@H](CO)O[C@H](CO)n1cnc2c(N)ncnc21.Nc1ccn([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](CO[P+](O)(O)O)O2)c(=O)n1.Nc1ccn([C@H]2C[C@H](O[P+](=O)O)[C@@H](COP(=O)(O)O)O2)c(=O)n1.[H]/N=C(\N)c1ncn([C@@H]2O[C@H](COP(=O)(O)O[C@H]3C[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(=O)(O)O)[C@@H](OC(=O)[C@H](CC(=O)Oc3c(C)cccc3SSCC)NC(=O)OC(C)(C)C)[C@H]2O)c1N=C.

What is the InChIKey of [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-trihydroxyphosphanium;[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxy-oxophosphanium;1-O-[(2R,3S,4R,5R)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-[4-carbamimidoyl-5-(methylideneamino)imidazol-1-yl]-4-hydroxyoxolan-3-yl] 4-O-[2-(ethyldisulfanyl)-6-methylphenyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate;1-O-(cyanomethyl) 4-O-[2-(ethyldisulfanyl)-6-methylphenyl] (2S)-2-methylbutanedioate;[2-(ethyldisulfanyl)-6-methylphenyl] (3S)-3-amino-4-[(2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-hydroxyethoxy]-3-hydroxypropoxy]-4-hydroxybutanoate?

The InChIKey is ATXJYPBHMSKSQJ-DWHRNIIFSA-P. The full InChI is InChI=1S/C37H51N9O18P2S2.C23H32N6O7S2.C19H26N8O13P2.C16H19NO4S2.C9H13N3O9P2/c1-7-67-68-23-10-8-9-18(2)29(23)61-26(47)13-19(43-36(51)63-37(3,4)5)34(49)62-30-22(60-33(28(30)48)46-17-42-27(31(39)40)32(46)41-6)16-58-66(55,56)64-20-14-25(45-12-11-24(38)44-35(45)50)59-21(20)15-57-65(52,53)54;1-3-37-38-16-6-4-5-13(2)20(16)36-18(32)7-15(24)23(33)34-10-14(8-30)35-17(9-31)29-12-28-19-21(25)26-11-27-22(19)29;20-11-1-2-26(19(30)25-11)12-3-8(9(38-12)4-36-41(31,32)33)40-42(34,35)37-5-10-14(28)15(29)18(39-10)27-7-24-13-16(21)22-6-23-17(13)27;1-4-22-23-13-7-5-6-11(2)15(13)21-14(18)10-12(3)16(19)20-9-8-17;10-7-1-2-12(9(13)11-7)8-3-5(21-22(14)15)6(20-8)4-19-23(16,17)18/h8-12,17,19-22,25,28,30,33,48H,6-7,13-16H2,1-5H3,(H3,39,40)(H,43,51)(H,55,56)(H2,38,44,50)(H2,52,53,54);4-6,11-12,14-15,17,23,30-31,33H,3,7-10,24H2,1-2H3,(H2,25,26,27);1-2,6-10,12,14-15,18,28-29,31-33H,3-5H2,(H4-,20,21,22,23,25,30,34,35);5-7,12H,4,9-10H2,1-3H3;1-2,5-6,8H,3-4H2,(H4-,10,11,13,14,15,16,17,18)/p+2/t19-,20-,21+,22+,25+,28+,30+,33+;14-,15+,17-,23?;8-,9+,10+,12+,14+,15+,18+;12-;5-,6+,8+/m01000/s1.

What are the key properties of [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-trihydroxyphosphanium;[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxy-oxophosphanium;1-O-[(2R,3S,4R,5R)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-[4-carbamimidoyl-5-(methylideneamino)imidazol-1-yl]-4-hydroxyoxolan-3-yl] 4-O-[2-(ethyldisulfanyl)-6-methylphenyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate;1-O-(cyanomethyl) 4-O-[2-(ethyldisulfanyl)-6-methylphenyl] (2S)-2-methylbutanedioate;[2-(ethyldisulfanyl)-6-methylphenyl] (3S)-3-amino-4-[(2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-hydroxyethoxy]-3-hydroxypropoxy]-4-hydroxybutanoate?

[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-trihydroxyphosphanium;[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxy-oxophosphanium;1-O-[(2R,3S,4R,5R)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-[4-carbamimidoyl-5-(methylideneamino)imidazol-1-yl]-4-hydroxyoxolan-3-yl] 4-O-[2-(ethyldisulfanyl)-6-methylphenyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate;1-O-(cyanomethyl) 4-O-[2-(ethyldisulfanyl)-6-methylphenyl] (2S)-2-methylbutanedioate;[2-(ethyldisulfanyl)-6-methylphenyl] (3S)-3-amino-4-[(2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-hydroxyethoxy]-3-hydroxypropoxy]-4-hydroxybutanoate has a molecular weight of 2965.67 g/mol, XLogP of 3.71, 60 rotatable bonds, 25 hydrogen bond donors, and 75 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-trihydroxyphosphanium;[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxy-oxophosphanium;1-O-[(2R,3S,4R,5R)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-[4-carbamimidoyl-5-(methylideneamino)imidazol-1-yl]-4-hydroxyoxolan-3-yl] 4-O-[2-(ethyldisulfanyl)-6-methylphenyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate;1-O-(cyanomethyl) 4-O-[2-(ethyldisulfanyl)-6-methylphenyl] (2S)-2-methylbutanedioate;[2-(ethyldisulfanyl)-6-methylphenyl] (3S)-3-amino-4-[(2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-hydroxyethoxy]-3-hydroxypropoxy]-4-hydroxybutanoate is sourced from PubChem (CID 158390939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).