[(1R,3R,4R,7S)-3-(7-aminoimidazo[4,5-b]pyridin-3-yl)-1-[[[(2R,3S,4R,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxy-oxophosphanium;[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[(1S)-1-[[(2R,3R,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxyethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium;[(1R,3R,7R)-3-(7-aminoimidazo[4,5-b]pyridin-3-yl)-1-[[[(2R,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxy-oxophosphanium;[(2R,3S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[[[(2R,3R,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methyloxolan-3-yl]oxy-hydroxy-oxophosphanium

C88H107FN36O47P8+4 — CID 161354146

About [(1R,3R,4R,7S)-3-(7-aminoimidazo[4,5-b]pyridin-3-yl)-1-[[[(2R,3S,4R,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxy-oxophosphanium;[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[(1S)-1-[[(2R,3R,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxyethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium;[(1R,3R,7R)-3-(7-aminoimidazo[4,5-b]pyridin-3-yl)-1-[[[(2R,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxy-oxophosphanium;[(2R,3S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[[[(2R,3R,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methyloxolan-3-yl]oxy-hydroxy-oxophosphanium

[(1R,3R,4R,7S)-3-(7-aminoimidazo[4,5-b]pyridin-3-yl)-1-[[[(2R,3S,4R,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxy-oxophosphanium;[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[(1S)-1-[[(2R,3R,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxyethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium;[(1R,3R,7R)-3-(7-aminoimidazo[4,5-b]pyridin-3-yl)-1-[[[(2R,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxy-oxophosphanium;[(2R,3S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[[[(2R,3R,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methyloxolan-3-yl]oxy-hydroxy-oxophosphanium (PubChem CID 161354146) has the molecular formula C88H107FN36O47P8+4 and a molecular weight of 2687.82 g/mol. Its IUPAC name is [(1R,3R,4R,7S)-3-(7-aminoimidazo[4,5-b]pyridin-3-yl)-1-[[[(2R,3S,4R,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxy-oxophosphanium;[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[(1S)-1-[[(2R,3R,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxyethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium;[(1R,3R,7R)-3-(7-aminoimidazo[4,5-b]pyridin-3-yl)-1-[[[(2R,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxy-oxophosphanium;[(2R,3S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[[[(2R,3R,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methyloxolan-3-yl]oxy-hydroxy-oxophosphanium.

Molecular Properties

• Compound Name: [(1R,3R,4R,7S)-3-(7-aminoimidazo[4,5-b]pyridin-3-yl)-1-[[[(2R,3S,4R,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxy-oxophosphanium;[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[(1S)-1-[[(2R,3R,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxyethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium;[(1R,3R,7R)-3-(7-aminoimidazo[4,5-b]pyridin-3-yl)-1-[[[(2R,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxy-oxophosphanium;[(2R,3S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[[[(2R,3R,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methyloxolan-3-yl]oxy-hydroxy-oxophosphanium
• PubChem CID: 161354146
• Molecular Formula: C88H107FN36O47P8+4
• Molecular Weight: 2687.82 g/mol
• Exact Mass: 2686.50
• IUPAC Name: [(1R,3R,4R,7S)-3-(7-aminoimidazo[4,5-b]pyridin-3-yl)-1-[[[(2R,3S,4R,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxy-oxophosphanium;[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[(1S)-1-[[(2R,3R,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxyethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium;[(1R,3R,7R)-3-(7-aminoimidazo[4,5-b]pyridin-3-yl)-1-[[[(2R,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxy-oxophosphanium;[(2R,3S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[[[(2R,3R,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methyloxolan-3-yl]oxy-hydroxy-oxophosphanium
• SMILES: C[C@H](OP(=O)(O)O[C@@H]1C[C@@H](CO)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21)[C@@H]1O[C@@H](n2cnc3c(N)ccnc32)[C@H](O)[C@@H]1O[P+](=O)O.C[C@H]1[C@H](O[P+](=O)O)[C@@H](COP(=O)(O)O[C@@H]2C[C@@H](CO)O[C@H]2n2cnc3c(=O)[nH]c(N)nc32)O[C@H]1n1cnc2c(N)ccnc21.Nc1nc2c(ncn2[C@@H]2O[C@H](CO)CC2OP(=O)(O)OC[C@@]23COC([C@H](n4cnc5c(N)ccnc54)O2)[C@H]3O[P+](=O)O)c(=O)[nH]1.Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](F)[C@H]2OP(=O)(O)OC[C@@]23CO[C@@H]([C@H](n4cnc5c(N)ccnc54)O2)[C@@H]3O[P+](=O)O)c(=O)[nH]1
• InChI: InChI=1S/C22H24FN9O12P2.C22H25N9O12P2.C22H27N9O12P2.C22H27N9O11P2/c23-10-9(3-33)41-19(32-7-28-12-17(32)29-21(25)30-18(12)34)13(10)44-46(37,38)40-5-22-4-39-14(15(22)43-45(35)36)20(42-22)31-6-27-11-8(24)1-2-26-16(11)31;23-10-1-2-25-16-12(10)26-7-30(16)20-14-15(42-44(34)35)22(41-20,5-38-14)6-39-45(36,37)43-11-3-9(4-32)40-19(11)31-8-27-13-17(31)28-21(24)29-18(13)33;1-8(15-16(41-44(35)36)14(33)21(40-15)30-6-26-12-10(23)2-3-25-17(12)30)42-45(37,38)43-11-4-9(5-32)39-20(11)31-7-27-13-18(31)28-22(24)29-19(13)34;1-9-16(41-43(34)35)13(40-20(9)30-7-26-14-11(23)2-3-25-17(14)30)6-38-44(36,37)42-12-4-10(5-32)39-21(12)31-8-27-15-18(31)28-22(24)29-19(15)33/h1-2,6-7,9-10,13-15,19-20,33H,3-5H2,(H6-,24,25,26,29,30,34,35,36,37,38);1-2,7-9,11,14-15,19-20,32H,3-6H2,(H6-,23,24,25,28,29,33,34,35,36,37);2-3,6-9,11,14-16,20-21,32-33H,4-5H2,1H3,(H6-,23,24,25,28,29,34,35,36,37,38);2-3,7-10,12-13,16,20-21,32H,4-6H2,1H3,(H6-,23,24,25,28,29,33,34,35,36,37)/p+4/t9-,10-,13-,14-,15+,19-,20-,22-;9-,11?,14?,15+,19+,20+,22+;8-,9-,11+,14+,15-,16-,20+,21+;9-,10-,12+,13+,16-,20+,21+/m1000/s1
• InChIKey: NLGOYBFSIQLCQA-UHGODRDSSA-R
• XLogP: -2.36
• TPSA: 1187.89 Ų
• H-Bond Donors: 25
• H-Bond Acceptors: 71
• Rotatable Bonds: 40
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2687.82
LogP ≤ 5	-2.36
H-Bond Donors ≤ 5	25
H-Bond Acceptors ≤ 10	71

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(1R,3R,4R,7S)-3-(7-aminoimidazo[4,5-b]pyridin-3-yl)-1-[[[(2R,3S,4R,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxy-oxophosphanium;[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[(1S)-1-[[(2R,3R,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxyethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium;[(1R,3R,7R)-3-(7-aminoimidazo[4,5-b]pyridin-3-yl)-1-[[[(2R,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxy-oxophosphanium;[(2R,3S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[[[(2R,3R,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methyloxolan-3-yl]oxy-hydroxy-oxophosphanium?

The IUPAC name of [(1R,3R,4R,7S)-3-(7-aminoimidazo[4,5-b]pyridin-3-yl)-1-[[[(2R,3S,4R,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxy-oxophosphanium;[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[(1S)-1-[[(2R,3R,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxyethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium;[(1R,3R,7R)-3-(7-aminoimidazo[4,5-b]pyridin-3-yl)-1-[[[(2R,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxy-oxophosphanium;[(2R,3S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[[[(2R,3R,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methyloxolan-3-yl]oxy-hydroxy-oxophosphanium (CID 161354146) is [(1R,3R,4R,7S)-3-(7-aminoimidazo[4,5-b]pyridin-3-yl)-1-[[[(2R,3S,4R,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxy-oxophosphanium;[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[(1S)-1-[[(2R,3R,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxyethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium;[(1R,3R,7R)-3-(7-aminoimidazo[4,5-b]pyridin-3-yl)-1-[[[(2R,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxy-oxophosphanium;[(2R,3S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[[[(2R,3R,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methyloxolan-3-yl]oxy-hydroxy-oxophosphanium.

What is the SMILES notation for [(1R,3R,4R,7S)-3-(7-aminoimidazo[4,5-b]pyridin-3-yl)-1-[[[(2R,3S,4R,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxy-oxophosphanium;[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[(1S)-1-[[(2R,3R,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxyethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium;[(1R,3R,7R)-3-(7-aminoimidazo[4,5-b]pyridin-3-yl)-1-[[[(2R,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxy-oxophosphanium;[(2R,3S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[[[(2R,3R,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methyloxolan-3-yl]oxy-hydroxy-oxophosphanium?

The canonical SMILES for [(1R,3R,4R,7S)-3-(7-aminoimidazo[4,5-b]pyridin-3-yl)-1-[[[(2R,3S,4R,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxy-oxophosphanium;[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[(1S)-1-[[(2R,3R,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxyethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium;[(1R,3R,7R)-3-(7-aminoimidazo[4,5-b]pyridin-3-yl)-1-[[[(2R,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxy-oxophosphanium;[(2R,3S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[[[(2R,3R,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methyloxolan-3-yl]oxy-hydroxy-oxophosphanium is C[C@H](OP(=O)(O)O[C@@H]1C[C@@H](CO)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21)[C@@H]1O[C@@H](n2cnc3c(N)ccnc32)[C@H](O)[C@@H]1O[P+](=O)O.C[C@H]1[C@H](O[P+](=O)O)[C@@H](COP(=O)(O)O[C@@H]2C[C@@H](CO)O[C@H]2n2cnc3c(=O)[nH]c(N)nc32)O[C@H]1n1cnc2c(N)ccnc21.Nc1nc2c(ncn2[C@@H]2O[C@H](CO)CC2OP(=O)(O)OC[C@@]23COC([C@H](n4cnc5c(N)ccnc54)O2)[C@H]3O[P+](=O)O)c(=O)[nH]1.Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](F)[C@H]2OP(=O)(O)OC[C@@]23CO[C@@H]([C@H](n4cnc5c(N)ccnc54)O2)[C@@H]3O[P+](=O)O)c(=O)[nH]1.

What is the InChIKey of [(1R,3R,4R,7S)-3-(7-aminoimidazo[4,5-b]pyridin-3-yl)-1-[[[(2R,3S,4R,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxy-oxophosphanium;[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[(1S)-1-[[(2R,3R,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxyethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium;[(1R,3R,7R)-3-(7-aminoimidazo[4,5-b]pyridin-3-yl)-1-[[[(2R,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxy-oxophosphanium;[(2R,3S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[[[(2R,3R,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methyloxolan-3-yl]oxy-hydroxy-oxophosphanium?

The InChIKey is NLGOYBFSIQLCQA-UHGODRDSSA-R. The full InChI is InChI=1S/C22H24FN9O12P2.C22H25N9O12P2.C22H27N9O12P2.C22H27N9O11P2/c23-10-9(3-33)41-19(32-7-28-12-17(32)29-21(25)30-18(12)34)13(10)44-46(37,38)40-5-22-4-39-14(15(22)43-45(35)36)20(42-22)31-6-27-11-8(24)1-2-26-16(11)31;23-10-1-2-25-16-12(10)26-7-30(16)20-14-15(42-44(34)35)22(41-20,5-38-14)6-39-45(36,37)43-11-3-9(4-32)40-19(11)31-8-27-13-17(31)28-21(24)29-18(13)33;1-8(15-16(41-44(35)36)14(33)21(40-15)30-6-26-12-10(23)2-3-25-17(12)30)42-45(37,38)43-11-4-9(5-32)39-20(11)31-7-27-13-18(31)28-22(24)29-19(13)34;1-9-16(41-43(34)35)13(40-20(9)30-7-26-14-11(23)2-3-25-17(14)30)6-38-44(36,37)42-12-4-10(5-32)39-21(12)31-8-27-15-18(31)28-22(24)29-19(15)33/h1-2,6-7,9-10,13-15,19-20,33H,3-5H2,(H6-,24,25,26,29,30,34,35,36,37,38);1-2,7-9,11,14-15,19-20,32H,3-6H2,(H6-,23,24,25,28,29,33,34,35,36,37);2-3,6-9,11,14-16,20-21,32-33H,4-5H2,1H3,(H6-,23,24,25,28,29,34,35,36,37,38);2-3,7-10,12-13,16,20-21,32H,4-6H2,1H3,(H6-,23,24,25,28,29,33,34,35,36,37)/p+4/t9-,10-,13-,14-,15+,19-,20-,22-;9-,11?,14?,15+,19+,20+,22+;8-,9-,11+,14+,15-,16-,20+,21+;9-,10-,12+,13+,16-,20+,21+/m1000/s1.

What are the key properties of [(1R,3R,4R,7S)-3-(7-aminoimidazo[4,5-b]pyridin-3-yl)-1-[[[(2R,3S,4R,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxy-oxophosphanium;[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[(1S)-1-[[(2R,3R,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxyethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium;[(1R,3R,7R)-3-(7-aminoimidazo[4,5-b]pyridin-3-yl)-1-[[[(2R,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxy-oxophosphanium;[(2R,3S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[[[(2R,3R,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methyloxolan-3-yl]oxy-hydroxy-oxophosphanium?

[(1R,3R,4R,7S)-3-(7-aminoimidazo[4,5-b]pyridin-3-yl)-1-[[[(2R,3S,4R,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxy-oxophosphanium;[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[(1S)-1-[[(2R,3R,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxyethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium;[(1R,3R,7R)-3-(7-aminoimidazo[4,5-b]pyridin-3-yl)-1-[[[(2R,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxy-oxophosphanium;[(2R,3S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[[[(2R,3R,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methyloxolan-3-yl]oxy-hydroxy-oxophosphanium has a molecular weight of 2687.82 g/mol, XLogP of -2.36, 40 rotatable bonds, 25 hydrogen bond donors, and 71 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,3R,4R,7S)-3-(7-aminoimidazo[4,5-b]pyridin-3-yl)-1-[[[(2R,3S,4R,5R)-2-(2-amino-6-oxo-1H-purin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxy-oxophosphanium;[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[(1S)-1-[[(2R,3R,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxyethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxophosphanium;[(1R,3R,7R)-3-(7-aminoimidazo[4,5-b]pyridin-3-yl)-1-[[[(2R,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxy-oxophosphanium;[(2R,3S,4S,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-2-[[[(2R,3R,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methyloxolan-3-yl]oxy-hydroxy-oxophosphanium is sourced from PubChem (CID 161354146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).