(2R,3S,4R,5R)-2-(2-amino-6-ethoxypurin-9-yl)-4-fluoro-5-(hydroxymethyl)-3-methyloxolan-3-ol;5-amino-3-[(2R,3S,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-6H-imidazo[4,5-b]pyridin-7-one;[[(2R,3R,4S,5R)-5-(5-amino-7-oxo-6H-imidazo[4,5-b]pyridin-3-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(2R,3R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methyl dihydrogen phosphate;methane

C49H70F4N18O28P4 — CID 160970817

About (2R,3S,4R,5R)-2-(2-amino-6-ethoxypurin-9-yl)-4-fluoro-5-(hydroxymethyl)-3-methyloxolan-3-ol;5-amino-3-[(2R,3S,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-6H-imidazo[4,5-b]pyridin-7-one;[[(2R,3R,4S,5R)-5-(5-amino-7-oxo-6H-imidazo[4,5-b]pyridin-3-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(2R,3R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methyl dihydrogen phosphate;methane

(2R,3S,4R,5R)-2-(2-amino-6-ethoxypurin-9-yl)-4-fluoro-5-(hydroxymethyl)-3-methyloxolan-3-ol;5-amino-3-[(2R,3S,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-6H-imidazo[4,5-b]pyridin-7-one;[[(2R,3R,4S,5R)-5-(5-amino-7-oxo-6H-imidazo[4,5-b]pyridin-3-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(2R,3R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methyl dihydrogen phosphate;methane (PubChem CID 160970817) has the molecular formula C49H70F4N18O28P4 and a molecular weight of 1559.08 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2-(2-amino-6-ethoxypurin-9-yl)-4-fluoro-5-(hydroxymethyl)-3-methyloxolan-3-ol;5-amino-3-[(2R,3S,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-6H-imidazo[4,5-b]pyridin-7-one;[[(2R,3R,4S,5R)-5-(5-amino-7-oxo-6H-imidazo[4,5-b]pyridin-3-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(2R,3R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methyl dihydrogen phosphate;methane.

Molecular Properties

• Compound Name: (2R,3S,4R,5R)-2-(2-amino-6-ethoxypurin-9-yl)-4-fluoro-5-(hydroxymethyl)-3-methyloxolan-3-ol;5-amino-3-[(2R,3S,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-6H-imidazo[4,5-b]pyridin-7-one;[[(2R,3R,4S,5R)-5-(5-amino-7-oxo-6H-imidazo[4,5-b]pyridin-3-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(2R,3R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methyl dihydrogen phosphate;methane
• PubChem CID: 160970817
• Molecular Formula: C49H70F4N18O28P4
• Molecular Weight: 1559.08 g/mol
• Exact Mass: 1558.35
• IUPAC Name: (2R,3S,4R,5R)-2-(2-amino-6-ethoxypurin-9-yl)-4-fluoro-5-(hydroxymethyl)-3-methyloxolan-3-ol;5-amino-3-[(2R,3S,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-6H-imidazo[4,5-b]pyridin-7-one;[[(2R,3R,4S,5R)-5-(5-amino-7-oxo-6H-imidazo[4,5-b]pyridin-3-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(2R,3R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methyl dihydrogen phosphate;methane
• SMILES: C.CCOc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](F)[C@@]1(C)O.C[C@@]1(O)[C@H](F)[C@@H](CO)O[C@H]1n1cnc2c1N=C(N)CC2=O.C[C@@]1(O)[C@H](F)[C@@H](COP(=O)(O)O)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21.C[C@@]1(O)[C@H](F)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1cnc2c1N=C(N)CC2=O
• InChI: InChI=1S/C13H18FN5O4.C12H18FN4O13P3.C12H15FN4O4.C11H15FN5O7P.CH4/c1-3-22-10-7-9(17-12(15)18-10)19(5-16-7)11-13(2,21)8(14)6(4-20)23-11;1-12(19)9(13)6(3-27-32(23,24)30-33(25,26)29-31(20,21)22)28-11(12)17-4-15-8-5(18)2-7(14)16-10(8)17;1-12(20)9(13)6(3-18)21-11(12)17-4-15-8-5(19)2-7(14)16-10(8)17;1-11(19)6(12)4(2-23-25(20,21)22)24-9(11)17-3-14-5-7(17)15-10(13)16-8(5)18;/h5-6,8,11,20-21H,3-4H2,1-2H3,(H2,15,17,18);4,6,9,11,19H,2-3H2,1H3,(H2,14,16)(H,23,24)(H,25,26)(H2,20,21,22);4,6,9,11,18,20H,2-3H2,1H3,(H2,14,16);3-4,6,9,19H,2H2,1H3,(H2,20,21,22)(H3,13,15,16,18);1H4/t6-,8-,11-,13-;2*6-,9-,11-,12-;4-,6-,9-,11-;/m1111./s1
• InChIKey: SYFOGWNQBONURP-PXJCRBSVSA-N
• XLogP: -1.56
• TPSA: 699.86 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 39
• Rotatable Bonds: 18
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1559.08
LogP ≤ 5	-1.56
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2-(2-amino-6-ethoxypurin-9-yl)-4-fluoro-5-(hydroxymethyl)-3-methyloxolan-3-ol;5-amino-3-[(2R,3S,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-6H-imidazo[4,5-b]pyridin-7-one;[[(2R,3R,4S,5R)-5-(5-amino-7-oxo-6H-imidazo[4,5-b]pyridin-3-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(2R,3R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methyl dihydrogen phosphate;methane?

The IUPAC name of (2R,3S,4R,5R)-2-(2-amino-6-ethoxypurin-9-yl)-4-fluoro-5-(hydroxymethyl)-3-methyloxolan-3-ol;5-amino-3-[(2R,3S,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-6H-imidazo[4,5-b]pyridin-7-one;[[(2R,3R,4S,5R)-5-(5-amino-7-oxo-6H-imidazo[4,5-b]pyridin-3-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(2R,3R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methyl dihydrogen phosphate;methane (CID 160970817) is (2R,3S,4R,5R)-2-(2-amino-6-ethoxypurin-9-yl)-4-fluoro-5-(hydroxymethyl)-3-methyloxolan-3-ol;5-amino-3-[(2R,3S,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-6H-imidazo[4,5-b]pyridin-7-one;[[(2R,3R,4S,5R)-5-(5-amino-7-oxo-6H-imidazo[4,5-b]pyridin-3-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(2R,3R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methyl dihydrogen phosphate;methane.

What is the SMILES notation for (2R,3S,4R,5R)-2-(2-amino-6-ethoxypurin-9-yl)-4-fluoro-5-(hydroxymethyl)-3-methyloxolan-3-ol;5-amino-3-[(2R,3S,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-6H-imidazo[4,5-b]pyridin-7-one;[[(2R,3R,4S,5R)-5-(5-amino-7-oxo-6H-imidazo[4,5-b]pyridin-3-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(2R,3R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methyl dihydrogen phosphate;methane?

The canonical SMILES for (2R,3S,4R,5R)-2-(2-amino-6-ethoxypurin-9-yl)-4-fluoro-5-(hydroxymethyl)-3-methyloxolan-3-ol;5-amino-3-[(2R,3S,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-6H-imidazo[4,5-b]pyridin-7-one;[[(2R,3R,4S,5R)-5-(5-amino-7-oxo-6H-imidazo[4,5-b]pyridin-3-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(2R,3R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methyl dihydrogen phosphate;methane is C.CCOc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](F)[C@@]1(C)O.C[C@@]1(O)[C@H](F)[C@@H](CO)O[C@H]1n1cnc2c1N=C(N)CC2=O.C[C@@]1(O)[C@H](F)[C@@H](COP(=O)(O)O)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21.C[C@@]1(O)[C@H](F)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1cnc2c1N=C(N)CC2=O.

What is the InChIKey of (2R,3S,4R,5R)-2-(2-amino-6-ethoxypurin-9-yl)-4-fluoro-5-(hydroxymethyl)-3-methyloxolan-3-ol;5-amino-3-[(2R,3S,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-6H-imidazo[4,5-b]pyridin-7-one;[[(2R,3R,4S,5R)-5-(5-amino-7-oxo-6H-imidazo[4,5-b]pyridin-3-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(2R,3R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methyl dihydrogen phosphate;methane?

The InChIKey is SYFOGWNQBONURP-PXJCRBSVSA-N. The full InChI is InChI=1S/C13H18FN5O4.C12H18FN4O13P3.C12H15FN4O4.C11H15FN5O7P.CH4/c1-3-22-10-7-9(17-12(15)18-10)19(5-16-7)11-13(2,21)8(14)6(4-20)23-11;1-12(19)9(13)6(3-27-32(23,24)30-33(25,26)29-31(20,21)22)28-11(12)17-4-15-8-5(18)2-7(14)16-10(8)17;1-12(20)9(13)6(3-18)21-11(12)17-4-15-8-5(19)2-7(14)16-10(8)17;1-11(19)6(12)4(2-23-25(20,21)22)24-9(11)17-3-14-5-7(17)15-10(13)16-8(5)18;/h5-6,8,11,20-21H,3-4H2,1-2H3,(H2,15,17,18);4,6,9,11,19H,2-3H2,1H3,(H2,14,16)(H,23,24)(H,25,26)(H2,20,21,22);4,6,9,11,18,20H,2-3H2,1H3,(H2,14,16);3-4,6,9,19H,2H2,1H3,(H2,20,21,22)(H3,13,15,16,18);1H4/t6-,8-,11-,13-;2*6-,9-,11-,12-;4-,6-,9-,11-;/m1111./s1.

What are the key properties of (2R,3S,4R,5R)-2-(2-amino-6-ethoxypurin-9-yl)-4-fluoro-5-(hydroxymethyl)-3-methyloxolan-3-ol;5-amino-3-[(2R,3S,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-6H-imidazo[4,5-b]pyridin-7-one;[[(2R,3R,4S,5R)-5-(5-amino-7-oxo-6H-imidazo[4,5-b]pyridin-3-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(2R,3R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methyl dihydrogen phosphate;methane?

(2R,3S,4R,5R)-2-(2-amino-6-ethoxypurin-9-yl)-4-fluoro-5-(hydroxymethyl)-3-methyloxolan-3-ol;5-amino-3-[(2R,3S,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-6H-imidazo[4,5-b]pyridin-7-one;[[(2R,3R,4S,5R)-5-(5-amino-7-oxo-6H-imidazo[4,5-b]pyridin-3-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(2R,3R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methyl dihydrogen phosphate;methane has a molecular weight of 1559.08 g/mol, XLogP of -1.56, 18 rotatable bonds, 17 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4R,5R)-2-(2-amino-6-ethoxypurin-9-yl)-4-fluoro-5-(hydroxymethyl)-3-methyloxolan-3-ol;5-amino-3-[(2R,3S,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-6H-imidazo[4,5-b]pyridin-7-one;[[(2R,3R,4S,5R)-5-(5-amino-7-oxo-6H-imidazo[4,5-b]pyridin-3-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(2R,3R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methyl dihydrogen phosphate;methane is sourced from PubChem (CID 160970817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).