[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-fluorooxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-fluorooxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-methoxyoxolan-3-yl] [(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-3-[methoxy(oxido)phosphoryl]oxyoxolan-2-yl]methyl phosphate

C51H62F3N19O30P5-5 — CID 177099527

About [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-fluorooxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-fluorooxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-methoxyoxolan-3-yl] [(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-3-[methoxy(oxido)phosphoryl]oxyoxolan-2-yl]methyl phosphate

[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-fluorooxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-fluorooxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-methoxyoxolan-3-yl] [(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-3-[methoxy(oxido)phosphoryl]oxyoxolan-2-yl]methyl phosphate (PubChem CID 177099527) has the molecular formula C51H62F3N19O30P5-5 and a molecular weight of 1633.02 g/mol. Its IUPAC name is [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-fluorooxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-fluorooxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-methoxyoxolan-3-yl] [(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-3-[methoxy(oxido)phosphoryl]oxyoxolan-2-yl]methyl phosphate.

Molecular Properties

• Compound Name: [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-fluorooxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-fluorooxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-methoxyoxolan-3-yl] [(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-3-[methoxy(oxido)phosphoryl]oxyoxolan-2-yl]methyl phosphate
• PubChem CID: 177099527
• Molecular Formula: C51H62F3N19O30P5-5
• Molecular Weight: 1633.02 g/mol
• Exact Mass: 1632.26
• IUPAC Name: [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-fluorooxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-fluorooxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-methoxyoxolan-3-yl] [(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-3-[methoxy(oxido)phosphoryl]oxyoxolan-2-yl]methyl phosphate
• SMILES: CC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](F)C1OP(=O)([O-])OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](OC)C1OP(=O)([O-])OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](F)C1OP(=O)([O-])OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](OC)C1OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](F)C1OP(=O)([O-])OC
• InChI: InChI=1S/C51H67F3N19O30P5/c1-5-20-33(28(52)45(94-20)72-18-64-31-40(58)60-16-62-42(31)72)100-105(79,80)92-14-23-36(38(87-2)47(97-23)70-10-7-26(56)67-50(70)75)103-108(85,86)91-13-22-35(29(53)44(95-22)69-9-6-25(55)66-49(69)74)101-106(81,82)93-15-24-37(39(88-3)48(98-24)71-11-8-27(57)68-51(71)76)102-107(83,84)90-12-21-34(99-104(77,78)89-4)30(54)46(96-21)73-19-65-32-41(59)61-17-63-43(32)73/h6-11,16-24,28-30,33-39,44-48H,5,12-15H2,1-4H3,(H,77,78)(H,79,80)(H,81,82)(H,83,84)(H,85,86)(H2,55,66,74)(H2,56,67,75)(H2,57,68,76)(H2,58,60,62)(H2,59,61,63)/p-5/t20-,21-,22-,23-,24-,28+,29+,30+,33?,34?,35?,36?,37?,38+,39+,44-,45-,46-,47-,48-/m1/s1
• InChIKey: JRXKWEDQVCVYIU-NNXIKCQQSA-I
• XLogP: -3.73
• TPSA: 679.53 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 49
• Rotatable Bonds: 31
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1633.02
LogP ≤ 5	-3.73
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-fluorooxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-fluorooxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-methoxyoxolan-3-yl] [(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-3-[methoxy(oxido)phosphoryl]oxyoxolan-2-yl]methyl phosphate?

The IUPAC name of [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-fluorooxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-fluorooxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-methoxyoxolan-3-yl] [(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-3-[methoxy(oxido)phosphoryl]oxyoxolan-2-yl]methyl phosphate (CID 177099527) is [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-fluorooxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-fluorooxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-methoxyoxolan-3-yl] [(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-3-[methoxy(oxido)phosphoryl]oxyoxolan-2-yl]methyl phosphate.

What is the SMILES notation for [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-fluorooxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-fluorooxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-methoxyoxolan-3-yl] [(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-3-[methoxy(oxido)phosphoryl]oxyoxolan-2-yl]methyl phosphate?

The canonical SMILES for [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-fluorooxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-fluorooxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-methoxyoxolan-3-yl] [(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-3-[methoxy(oxido)phosphoryl]oxyoxolan-2-yl]methyl phosphate is CC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](F)C1OP(=O)([O-])OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](OC)C1OP(=O)([O-])OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](F)C1OP(=O)([O-])OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](OC)C1OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](F)C1OP(=O)([O-])OC.

What is the InChIKey of [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-fluorooxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-fluorooxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-methoxyoxolan-3-yl] [(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-3-[methoxy(oxido)phosphoryl]oxyoxolan-2-yl]methyl phosphate?

The InChIKey is JRXKWEDQVCVYIU-NNXIKCQQSA-I. The full InChI is InChI=1S/C51H67F3N19O30P5/c1-5-20-33(28(52)45(94-20)72-18-64-31-40(58)60-16-62-42(31)72)100-105(79,80)92-14-23-36(38(87-2)47(97-23)70-10-7-26(56)67-50(70)75)103-108(85,86)91-13-22-35(29(53)44(95-22)69-9-6-25(55)66-49(69)74)101-106(81,82)93-15-24-37(39(88-3)48(98-24)71-11-8-27(57)68-51(71)76)102-107(83,84)90-12-21-34(99-104(77,78)89-4)30(54)46(96-21)73-19-65-32-41(59)61-17-63-43(32)73/h6-11,16-24,28-30,33-39,44-48H,5,12-15H2,1-4H3,(H,77,78)(H,79,80)(H,81,82)(H,83,84)(H,85,86)(H2,55,66,74)(H2,56,67,75)(H2,57,68,76)(H2,58,60,62)(H2,59,61,63)/p-5/t20-,21-,22-,23-,24-,28+,29+,30+,33?,34?,35?,36?,37?,38+,39+,44-,45-,46-,47-,48-/m1/s1.

What are the key properties of [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-fluorooxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-fluorooxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-methoxyoxolan-3-yl] [(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-3-[methoxy(oxido)phosphoryl]oxyoxolan-2-yl]methyl phosphate?

[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-fluorooxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-fluorooxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-methoxyoxolan-3-yl] [(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-3-[methoxy(oxido)phosphoryl]oxyoxolan-2-yl]methyl phosphate has a molecular weight of 1633.02 g/mol, XLogP of -3.73, 31 rotatable bonds, 5 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-fluorooxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-fluorooxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-methoxyoxolan-3-yl] [(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-3-[methoxy(oxido)phosphoryl]oxyoxolan-2-yl]methyl phosphate is sourced from PubChem (CID 177099527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).