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

C72H84F4N28O42P6-6 — CID 177099525

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

[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-2-[[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-ethyl-4-fluorooxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-fluorooxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-methoxyoxolan-3-yl] [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-fluorooxolan-2-yl]methyl phosphate (PubChem CID 177099525) has the molecular formula C72H84F4N28O42P6-6 and a molecular weight of 2275.45 g/mol. Its IUPAC name is [(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-2-[[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-ethyl-4-fluorooxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-fluorooxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-methoxyoxolan-3-yl] [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-fluorooxolan-2-yl]methyl phosphate.

Molecular Properties

• Compound Name: [(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-2-[[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-ethyl-4-fluorooxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-fluorooxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-methoxyoxolan-3-yl] [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-fluorooxolan-2-yl]methyl phosphate
• PubChem CID: 177099525
• Molecular Formula: C72H84F4N28O42P6-6
• Molecular Weight: 2275.45 g/mol
• Exact Mass: 2274.37
• IUPAC Name: [(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-2-[[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-ethyl-4-fluorooxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-fluorooxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-methoxyoxolan-3-yl] [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-fluorooxolan-2-yl]methyl phosphate
• SMILES: CC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@@H](F)C1OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@@H](OC)C1OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](F)C1OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[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](n2ccc(=O)[nH]c2=O)[C@@H](F)C1OC
• InChI: InChI=1S/C72H90F4N28O42P6/c1-6-24-43(35(74)63(134-24)102-21-86-39-54(102)92-67(80)95-57(39)106)141-147(112,113)131-17-29-47(50(126-4)65(139-29)103-22-87-40-55(103)93-68(81)96-58(40)107)146-152(122,123)130-15-27-45(37(76)62(137-27)101-20-85-38-52(79)83-19-84-53(38)101)143-149(116,117)133-18-30-48(51(127-5)66(140-30)104-23-88-41-56(104)94-69(82)97-59(41)108)145-151(120,121)129-14-26-44(36(75)61(136-26)98-10-7-31(77)89-70(98)109)142-148(114,115)132-16-28-46(49(125-3)64(138-28)100-11-8-32(78)90-71(100)110)144-150(118,119)128-13-25-42(124-2)34(73)60(135-25)99-12-9-33(105)91-72(99)111/h7-12,19-30,34-37,42-51,60-66H,6,13-18H2,1-5H3,(H,112,113)(H,114,115)(H,116,117)(H,118,119)(H,120,121)(H,122,123)(H2,77,89,109)(H2,78,90,110)(H2,79,83,84)(H,91,105,111)(H3,80,92,95,106)(H3,81,93,96,107)(H3,82,94,97,108)/p-6/t24-,25-,26-,27-,28-,29-,30-,34+,35+,36+,37+,42?,43?,44?,45?,46?,47?,48?,49+,50+,51+,60-,61-,62-,63-,64-,65-,66-/m1/s1
• InChIKey: FJQFPAWXTDCVGT-ANPIFXDZSA-H
• XLogP: -6.89
• TPSA: 968.14 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 66
• Rotatable Bonds: 42
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2275.45
LogP ≤ 5	-6.89
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	66

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of [(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-2-[[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-ethyl-4-fluorooxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-fluorooxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-methoxyoxolan-3-yl] [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-fluorooxolan-2-yl]methyl phosphate (CID 177099525) is [(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-2-[[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-ethyl-4-fluorooxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-fluorooxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-methoxyoxolan-3-yl] [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-fluorooxolan-2-yl]methyl phosphate.

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

The canonical SMILES for [(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-2-[[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-ethyl-4-fluorooxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-fluorooxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-methoxyoxolan-3-yl] [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-fluorooxolan-2-yl]methyl phosphate is CC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@@H](F)C1OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@@H](OC)C1OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](F)C1OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[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](n2ccc(=O)[nH]c2=O)[C@@H](F)C1OC.

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

The InChIKey is FJQFPAWXTDCVGT-ANPIFXDZSA-H. The full InChI is InChI=1S/C72H90F4N28O42P6/c1-6-24-43(35(74)63(134-24)102-21-86-39-54(102)92-67(80)95-57(39)106)141-147(112,113)131-17-29-47(50(126-4)65(139-29)103-22-87-40-55(103)93-68(81)96-58(40)107)146-152(122,123)130-15-27-45(37(76)62(137-27)101-20-85-38-52(79)83-19-84-53(38)101)143-149(116,117)133-18-30-48(51(127-5)66(140-30)104-23-88-41-56(104)94-69(82)97-59(41)108)145-151(120,121)129-14-26-44(36(75)61(136-26)98-10-7-31(77)89-70(98)109)142-148(114,115)132-16-28-46(49(125-3)64(138-28)100-11-8-32(78)90-71(100)110)144-150(118,119)128-13-25-42(124-2)34(73)60(135-25)99-12-9-33(105)91-72(99)111/h7-12,19-30,34-37,42-51,60-66H,6,13-18H2,1-5H3,(H,112,113)(H,114,115)(H,116,117)(H,118,119)(H,120,121)(H,122,123)(H2,77,89,109)(H2,78,90,110)(H2,79,83,84)(H,91,105,111)(H3,80,92,95,106)(H3,81,93,96,107)(H3,82,94,97,108)/p-6/t24-,25-,26-,27-,28-,29-,30-,34+,35+,36+,37+,42?,43?,44?,45?,46?,47?,48?,49+,50+,51+,60-,61-,62-,63-,64-,65-,66-/m1/s1.

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

[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-2-[[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-ethyl-4-fluorooxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-fluorooxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-methoxyoxolan-3-yl] [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-fluorooxolan-2-yl]methyl phosphate has a molecular weight of 2275.45 g/mol, XLogP of -6.89, 42 rotatable bonds, 10 hydrogen bond donors, and 66 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-2-[[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-ethyl-4-fluorooxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-fluorooxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-4-methoxyoxolan-3-yl] [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-fluorooxolan-2-yl]methyl phosphate is sourced from PubChem (CID 177099525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).