[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] (2S)-4-methylsulfanyl-4-oxo-2-(pent-4-enoylamino)butanoate;[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(oxolan-2-yloxy)-2-(phosphonooxymethyl)oxolan-3-yl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;[(2R,3S,4R,5R)-2-[[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(oxolan-2-yloxy)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] (2S)-4-methylsulfanyl-4-oxo-2-(pent-4-enoylamino)butanoate;cyanomethyl (2S)-4-methylsulfanyl-4-oxo-2-(pent-4-enoylamino)butanoate

C97H132N28O54P6S3 — CID 160618339

About [(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] (2S)-4-methylsulfanyl-4-oxo-2-(pent-4-enoylamino)butanoate;[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(oxolan-2-yloxy)-2-(phosphonooxymethyl)oxolan-3-yl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;[(2R,3S,4R,5R)-2-[[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(oxolan-2-yloxy)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] (2S)-4-methylsulfanyl-4-oxo-2-(pent-4-enoylamino)butanoate;cyanomethyl (2S)-4-methylsulfanyl-4-oxo-2-(pent-4-enoylamino)butanoate

[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] (2S)-4-methylsulfanyl-4-oxo-2-(pent-4-enoylamino)butanoate;[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(oxolan-2-yloxy)-2-(phosphonooxymethyl)oxolan-3-yl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;[(2R,3S,4R,5R)-2-[[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(oxolan-2-yloxy)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] (2S)-4-methylsulfanyl-4-oxo-2-(pent-4-enoylamino)butanoate;cyanomethyl (2S)-4-methylsulfanyl-4-oxo-2-(pent-4-enoylamino)butanoate (PubChem CID 160618339) has the molecular formula C97H132N28O54P6S3 and a molecular weight of 2836.31 g/mol. Its IUPAC name is [(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] (2S)-4-methylsulfanyl-4-oxo-2-(pent-4-enoylamino)butanoate;[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(oxolan-2-yloxy)-2-(phosphonooxymethyl)oxolan-3-yl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;[(2R,3S,4R,5R)-2-[[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(oxolan-2-yloxy)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] (2S)-4-methylsulfanyl-4-oxo-2-(pent-4-enoylamino)butanoate;cyanomethyl (2S)-4-methylsulfanyl-4-oxo-2-(pent-4-enoylamino)butanoate.

Molecular Properties

• Compound Name: [(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] (2S)-4-methylsulfanyl-4-oxo-2-(pent-4-enoylamino)butanoate;[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(oxolan-2-yloxy)-2-(phosphonooxymethyl)oxolan-3-yl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;[(2R,3S,4R,5R)-2-[[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(oxolan-2-yloxy)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] (2S)-4-methylsulfanyl-4-oxo-2-(pent-4-enoylamino)butanoate;cyanomethyl (2S)-4-methylsulfanyl-4-oxo-2-(pent-4-enoylamino)butanoate
• PubChem CID: 160618339
• Molecular Formula: C97H132N28O54P6S3
• Molecular Weight: 2836.31 g/mol
• Exact Mass: 2834.60
• IUPAC Name: [(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] (2S)-4-methylsulfanyl-4-oxo-2-(pent-4-enoylamino)butanoate;[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(oxolan-2-yloxy)-2-(phosphonooxymethyl)oxolan-3-yl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;[(2R,3S,4R,5R)-2-[[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(oxolan-2-yloxy)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] (2S)-4-methylsulfanyl-4-oxo-2-(pent-4-enoylamino)butanoate;cyanomethyl (2S)-4-methylsulfanyl-4-oxo-2-(pent-4-enoylamino)butanoate
• SMILES: C=CCCC(=O)N[C@@H](CC(=O)SC)C(=O)OCC#N.C=CCCC(=O)N[C@@H](CC(=O)SC)C(=O)O[C@H]1[C@@H](O)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1COP(=O)(O)O[C@H]1[C@@H](O)[C@H](n2ccc(N)nc2=O)O[C@@H]1COP(=O)(O)O.C=CCCC(=O)N[C@@H](CC(=O)SC)C(=O)O[C@H]1[C@@H](O)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1COP(=O)(O)O[C@H]1[C@@H](OC2CCCO2)[C@H](n2ccc(N)nc2=O)O[C@@H]1COP(=O)(O)O.Nc1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@H]2OC2CCCO2)c(=O)n1
• InChI: InChI=1S/C33H45N9O18P2S.C29H39N9O17P2S.C23H32N8O15P2.C12H16N2O4S/c1-3-4-6-20(43)39-16(11-21(44)63-2)32(46)59-25-17(56-30(24(25)45)42-15-38-23-28(35)36-14-37-29(23)42)13-55-62(51,52)60-26-18(12-54-61(48,49)50)57-31(27(26)58-22-7-5-10-53-22)41-9-8-19(34)40-33(41)47;1-3-4-5-17(39)35-13(8-18(40)58-2)28(43)54-22-14(52-27(20(22)41)38-12-34-19-24(31)32-11-33-25(19)38)10-51-57(48,49)55-23-15(9-50-56(45,46)47)53-26(21(23)42)37-7-6-16(30)36-29(37)44;24-12-3-4-30(23(34)29-12)22-18(45-13-2-1-5-40-13)17(11(44-22)7-41-47(35,36)37)46-48(38,39)42-6-10-15(32)16(33)21(43-10)31-9-28-14-19(25)26-8-27-20(14)31;1-3-4-5-10(15)14-9(8-11(16)19-2)12(17)18-7-6-13/h3,8-9,14-18,22,24-27,30-31,45H,1,4-7,10-13H2,2H3,(H,39,43)(H,51,52)(H2,34,40,47)(H2,35,36,37)(H2,48,49,50);3,6-7,11-15,20-23,26-27,41-42H,1,4-5,8-10H2,2H3,(H,35,39)(H,48,49)(H2,30,36,44)(H2,31,32,33)(H2,45,46,47);3-4,8-11,13,15-18,21-22,32-33H,1-2,5-7H2,(H,38,39)(H2,24,29,34)(H2,25,26,27)(H2,35,36,37);3,9H,1,4-5,7-8H2,2H3,(H,14,15)/t16-,17+,18+,22?,24+,25+,26+,27+,30+,31+;13-,14+,15+,20+,21+,22+,23+,26+,27+;10-,11-,13?,15-,16-,17-,18-,21-,22-;9-/m0010/s1
• InChIKey: RGJNGZYVFLSCEC-HSAJJJIHSA-N
• XLogP: -4.12
• TPSA: 1193.80 Ų
• H-Bond Donors: 23
• H-Bond Acceptors: 73
• Rotatable Bonds: 58
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2836.31
LogP ≤ 5	-4.12
H-Bond Donors ≤ 5	23
H-Bond Acceptors ≤ 10	73

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] (2S)-4-methylsulfanyl-4-oxo-2-(pent-4-enoylamino)butanoate;[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(oxolan-2-yloxy)-2-(phosphonooxymethyl)oxolan-3-yl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;[(2R,3S,4R,5R)-2-[[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(oxolan-2-yloxy)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] (2S)-4-methylsulfanyl-4-oxo-2-(pent-4-enoylamino)butanoate;cyanomethyl (2S)-4-methylsulfanyl-4-oxo-2-(pent-4-enoylamino)butanoate?

The IUPAC name of [(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] (2S)-4-methylsulfanyl-4-oxo-2-(pent-4-enoylamino)butanoate;[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(oxolan-2-yloxy)-2-(phosphonooxymethyl)oxolan-3-yl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;[(2R,3S,4R,5R)-2-[[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(oxolan-2-yloxy)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] (2S)-4-methylsulfanyl-4-oxo-2-(pent-4-enoylamino)butanoate;cyanomethyl (2S)-4-methylsulfanyl-4-oxo-2-(pent-4-enoylamino)butanoate (CID 160618339) is [(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] (2S)-4-methylsulfanyl-4-oxo-2-(pent-4-enoylamino)butanoate;[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(oxolan-2-yloxy)-2-(phosphonooxymethyl)oxolan-3-yl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;[(2R,3S,4R,5R)-2-[[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(oxolan-2-yloxy)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] (2S)-4-methylsulfanyl-4-oxo-2-(pent-4-enoylamino)butanoate;cyanomethyl (2S)-4-methylsulfanyl-4-oxo-2-(pent-4-enoylamino)butanoate.

What is the SMILES notation for [(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] (2S)-4-methylsulfanyl-4-oxo-2-(pent-4-enoylamino)butanoate;[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(oxolan-2-yloxy)-2-(phosphonooxymethyl)oxolan-3-yl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;[(2R,3S,4R,5R)-2-[[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(oxolan-2-yloxy)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] (2S)-4-methylsulfanyl-4-oxo-2-(pent-4-enoylamino)butanoate;cyanomethyl (2S)-4-methylsulfanyl-4-oxo-2-(pent-4-enoylamino)butanoate?

The canonical SMILES for [(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] (2S)-4-methylsulfanyl-4-oxo-2-(pent-4-enoylamino)butanoate;[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(oxolan-2-yloxy)-2-(phosphonooxymethyl)oxolan-3-yl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;[(2R,3S,4R,5R)-2-[[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(oxolan-2-yloxy)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] (2S)-4-methylsulfanyl-4-oxo-2-(pent-4-enoylamino)butanoate;cyanomethyl (2S)-4-methylsulfanyl-4-oxo-2-(pent-4-enoylamino)butanoate is C=CCCC(=O)N[C@@H](CC(=O)SC)C(=O)OCC#N.C=CCCC(=O)N[C@@H](CC(=O)SC)C(=O)O[C@H]1[C@@H](O)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1COP(=O)(O)O[C@H]1[C@@H](O)[C@H](n2ccc(N)nc2=O)O[C@@H]1COP(=O)(O)O.C=CCCC(=O)N[C@@H](CC(=O)SC)C(=O)O[C@H]1[C@@H](O)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1COP(=O)(O)O[C@H]1[C@@H](OC2CCCO2)[C@H](n2ccc(N)nc2=O)O[C@@H]1COP(=O)(O)O.Nc1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@H]2OC2CCCO2)c(=O)n1.

What is the InChIKey of [(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] (2S)-4-methylsulfanyl-4-oxo-2-(pent-4-enoylamino)butanoate;[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(oxolan-2-yloxy)-2-(phosphonooxymethyl)oxolan-3-yl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;[(2R,3S,4R,5R)-2-[[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(oxolan-2-yloxy)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] (2S)-4-methylsulfanyl-4-oxo-2-(pent-4-enoylamino)butanoate;cyanomethyl (2S)-4-methylsulfanyl-4-oxo-2-(pent-4-enoylamino)butanoate?

The InChIKey is RGJNGZYVFLSCEC-HSAJJJIHSA-N. The full InChI is InChI=1S/C33H45N9O18P2S.C29H39N9O17P2S.C23H32N8O15P2.C12H16N2O4S/c1-3-4-6-20(43)39-16(11-21(44)63-2)32(46)59-25-17(56-30(24(25)45)42-15-38-23-28(35)36-14-37-29(23)42)13-55-62(51,52)60-26-18(12-54-61(48,49)50)57-31(27(26)58-22-7-5-10-53-22)41-9-8-19(34)40-33(41)47;1-3-4-5-17(39)35-13(8-18(40)58-2)28(43)54-22-14(52-27(20(22)41)38-12-34-19-24(31)32-11-33-25(19)38)10-51-57(48,49)55-23-15(9-50-56(45,46)47)53-26(21(23)42)37-7-6-16(30)36-29(37)44;24-12-3-4-30(23(34)29-12)22-18(45-13-2-1-5-40-13)17(11(44-22)7-41-47(35,36)37)46-48(38,39)42-6-10-15(32)16(33)21(43-10)31-9-28-14-19(25)26-8-27-20(14)31;1-3-4-5-10(15)14-9(8-11(16)19-2)12(17)18-7-6-13/h3,8-9,14-18,22,24-27,30-31,45H,1,4-7,10-13H2,2H3,(H,39,43)(H,51,52)(H2,34,40,47)(H2,35,36,37)(H2,48,49,50);3,6-7,11-15,20-23,26-27,41-42H,1,4-5,8-10H2,2H3,(H,35,39)(H,48,49)(H2,30,36,44)(H2,31,32,33)(H2,45,46,47);3-4,8-11,13,15-18,21-22,32-33H,1-2,5-7H2,(H,38,39)(H2,24,29,34)(H2,25,26,27)(H2,35,36,37);3,9H,1,4-5,7-8H2,2H3,(H,14,15)/t16-,17+,18+,22?,24+,25+,26+,27+,30+,31+;13-,14+,15+,20+,21+,22+,23+,26+,27+;10-,11-,13?,15-,16-,17-,18-,21-,22-;9-/m0010/s1.

What are the key properties of [(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] (2S)-4-methylsulfanyl-4-oxo-2-(pent-4-enoylamino)butanoate;[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(oxolan-2-yloxy)-2-(phosphonooxymethyl)oxolan-3-yl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;[(2R,3S,4R,5R)-2-[[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(oxolan-2-yloxy)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] (2S)-4-methylsulfanyl-4-oxo-2-(pent-4-enoylamino)butanoate;cyanomethyl (2S)-4-methylsulfanyl-4-oxo-2-(pent-4-enoylamino)butanoate?

[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] (2S)-4-methylsulfanyl-4-oxo-2-(pent-4-enoylamino)butanoate;[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(oxolan-2-yloxy)-2-(phosphonooxymethyl)oxolan-3-yl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;[(2R,3S,4R,5R)-2-[[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(oxolan-2-yloxy)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] (2S)-4-methylsulfanyl-4-oxo-2-(pent-4-enoylamino)butanoate;cyanomethyl (2S)-4-methylsulfanyl-4-oxo-2-(pent-4-enoylamino)butanoate has a molecular weight of 2836.31 g/mol, XLogP of -4.12, 58 rotatable bonds, 23 hydrogen bond donors, and 73 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] (2S)-4-methylsulfanyl-4-oxo-2-(pent-4-enoylamino)butanoate;[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(oxolan-2-yloxy)-2-(phosphonooxymethyl)oxolan-3-yl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;[(2R,3S,4R,5R)-2-[[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(oxolan-2-yloxy)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] (2S)-4-methylsulfanyl-4-oxo-2-(pent-4-enoylamino)butanoate;cyanomethyl (2S)-4-methylsulfanyl-4-oxo-2-(pent-4-enoylamino)butanoate is sourced from PubChem (CID 160618339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).