(2S,4aS,6R,7R,7aS)-6-(6-ethoxy-2-methylpurin-9-yl)-4a,7-difluoro-7-methyl-2-propan-2-yloxy-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine 2-oxide;(2R,4aS,6R,7R,7aS)-6-(6-ethoxy-2-methylpurin-9-yl)-4a,7-difluoro-7-methyl-2-propan-2-yloxy-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine 2-oxide;cyclohexyl 2-[[[(2S,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;[[(2S,3S,4R,5R)-4-ethynyl-2,4-difluoro-3-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

C107H133F10N22O41P7 — CID 159692539

About (2S,4aS,6R,7R,7aS)-6-(6-ethoxy-2-methylpurin-9-yl)-4a,7-difluoro-7-methyl-2-propan-2-yloxy-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine 2-oxide;(2R,4aS,6R,7R,7aS)-6-(6-ethoxy-2-methylpurin-9-yl)-4a,7-difluoro-7-methyl-2-propan-2-yloxy-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine 2-oxide;cyclohexyl 2-[[[(2S,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;[[(2S,3S,4R,5R)-4-ethynyl-2,4-difluoro-3-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

(2S,4aS,6R,7R,7aS)-6-(6-ethoxy-2-methylpurin-9-yl)-4a,7-difluoro-7-methyl-2-propan-2-yloxy-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine 2-oxide;(2R,4aS,6R,7R,7aS)-6-(6-ethoxy-2-methylpurin-9-yl)-4a,7-difluoro-7-methyl-2-propan-2-yloxy-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine 2-oxide;cyclohexyl 2-[[[(2S,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;[[(2S,3S,4R,5R)-4-ethynyl-2,4-difluoro-3-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate (PubChem CID 159692539) has the molecular formula C107H133F10N22O41P7 and a molecular weight of 2790.15 g/mol. Its IUPAC name is (2S,4aS,6R,7R,7aS)-6-(6-ethoxy-2-methylpurin-9-yl)-4a,7-difluoro-7-methyl-2-propan-2-yloxy-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine 2-oxide;(2R,4aS,6R,7R,7aS)-6-(6-ethoxy-2-methylpurin-9-yl)-4a,7-difluoro-7-methyl-2-propan-2-yloxy-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine 2-oxide;cyclohexyl 2-[[[(2S,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;[[(2S,3S,4R,5R)-4-ethynyl-2,4-difluoro-3-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.

Molecular Properties

• Compound Name: (2S,4aS,6R,7R,7aS)-6-(6-ethoxy-2-methylpurin-9-yl)-4a,7-difluoro-7-methyl-2-propan-2-yloxy-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine 2-oxide;(2R,4aS,6R,7R,7aS)-6-(6-ethoxy-2-methylpurin-9-yl)-4a,7-difluoro-7-methyl-2-propan-2-yloxy-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine 2-oxide;cyclohexyl 2-[[[(2S,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;[[(2S,3S,4R,5R)-4-ethynyl-2,4-difluoro-3-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
• PubChem CID: 159692539
• Molecular Formula: C107H133F10N22O41P7
• Molecular Weight: 2790.15 g/mol
• Exact Mass: 2788.70
• IUPAC Name: (2S,4aS,6R,7R,7aS)-6-(6-ethoxy-2-methylpurin-9-yl)-4a,7-difluoro-7-methyl-2-propan-2-yloxy-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine 2-oxide;(2R,4aS,6R,7R,7aS)-6-(6-ethoxy-2-methylpurin-9-yl)-4a,7-difluoro-7-methyl-2-propan-2-yloxy-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine 2-oxide;cyclohexyl 2-[[[(2S,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;[[(2S,3S,4R,5R)-4-ethynyl-2,4-difluoro-3-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
• SMILES: C#C[C@]1(F)[C@H](n2cnc3c(=O)[nH]c(C)nc32)O[C@](F)(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H]1O.C#C[C@]1(F)[C@H](n2cnc3c(OCC)nc(C)nc32)O[C@](F)(CO[P@@](=O)(NC(C)C(=O)OC2CCCCC2)Oc2ccccc2)[C@H]1O.C#C[C@]1(F)[C@H](n2cnc3c(OCC)nc(C)nc32)O[C@](F)(CO[P@](=O)(NC(C)C(=O)OC2CCCCC2)Oc2ccccc2)[C@H]1O.CCOc1nc(C)nc2c1ncn2[C@@H]1O[C@]2(F)CO[P@@](=O)(OC(C)C)O[C@H]2[C@@]1(C)F.CCOc1nc(C)nc2c1ncn2[C@@H]1O[C@]2(F)CO[P@](=O)(OC(C)C)O[C@H]2[C@@]1(C)F
• InChI: InChI=1S/2C30H36F2N5O8P.2C17H23F2N4O6P.C13H15F2N4O13P3/c2*1-5-29(31)27(39)30(32,44-28(29)37-18-33-23-24(37)34-20(4)35-25(23)41-6-2)17-42-46(40,45-22-15-11-8-12-16-22)36-19(3)26(38)43-21-13-9-7-10-14-21;2*1-6-25-13-11-12(21-10(4)22-13)23(8-20-11)15-16(5,18)14-17(19,27-15)7-26-30(24,29-14)28-9(2)3;1-3-12(14)10(21)13(15,4-29-34(25,26)32-35(27,28)31-33(22,23)24)30-11(12)19-5-16-7-8(19)17-6(2)18-9(7)20/h2*1,8,11-12,15-16,18-19,21,27-28,39H,6-7,9-10,13-14,17H2,2-4H3,(H,36,40);2*8-9,14-15H,6-7H2,1-5H3;1,5,10-11,21H,4H2,2H3,(H,25,26)(H,27,28)(H,17,18,20)(H2,22,23,24)/t19?,27-,28+,29+,30+,46+;19?,27-,28+,29+,30+,46-;14-,15+,16+,17+,30+;14-,15+,16+,17+,30-;10-,11+,12+,13+/m00000/s1
• InChIKey: MWPDNTRXJJYBAI-XVIQRGGUSA-N
• XLogP: 15.45
• TPSA: 778.79 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 56
• Rotatable Bonds: 42
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2790.15
LogP ≤ 5	15.45
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	56

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S,4aS,6R,7R,7aS)-6-(6-ethoxy-2-methylpurin-9-yl)-4a,7-difluoro-7-methyl-2-propan-2-yloxy-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine 2-oxide;(2R,4aS,6R,7R,7aS)-6-(6-ethoxy-2-methylpurin-9-yl)-4a,7-difluoro-7-methyl-2-propan-2-yloxy-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine 2-oxide;cyclohexyl 2-[[[(2S,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;[[(2S,3S,4R,5R)-4-ethynyl-2,4-difluoro-3-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate?

The IUPAC name of (2S,4aS,6R,7R,7aS)-6-(6-ethoxy-2-methylpurin-9-yl)-4a,7-difluoro-7-methyl-2-propan-2-yloxy-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine 2-oxide;(2R,4aS,6R,7R,7aS)-6-(6-ethoxy-2-methylpurin-9-yl)-4a,7-difluoro-7-methyl-2-propan-2-yloxy-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine 2-oxide;cyclohexyl 2-[[[(2S,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;[[(2S,3S,4R,5R)-4-ethynyl-2,4-difluoro-3-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate (CID 159692539) is (2S,4aS,6R,7R,7aS)-6-(6-ethoxy-2-methylpurin-9-yl)-4a,7-difluoro-7-methyl-2-propan-2-yloxy-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine 2-oxide;(2R,4aS,6R,7R,7aS)-6-(6-ethoxy-2-methylpurin-9-yl)-4a,7-difluoro-7-methyl-2-propan-2-yloxy-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine 2-oxide;cyclohexyl 2-[[[(2S,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;[[(2S,3S,4R,5R)-4-ethynyl-2,4-difluoro-3-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.

What is the SMILES notation for (2S,4aS,6R,7R,7aS)-6-(6-ethoxy-2-methylpurin-9-yl)-4a,7-difluoro-7-methyl-2-propan-2-yloxy-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine 2-oxide;(2R,4aS,6R,7R,7aS)-6-(6-ethoxy-2-methylpurin-9-yl)-4a,7-difluoro-7-methyl-2-propan-2-yloxy-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine 2-oxide;cyclohexyl 2-[[[(2S,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;[[(2S,3S,4R,5R)-4-ethynyl-2,4-difluoro-3-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate?

The canonical SMILES for (2S,4aS,6R,7R,7aS)-6-(6-ethoxy-2-methylpurin-9-yl)-4a,7-difluoro-7-methyl-2-propan-2-yloxy-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine 2-oxide;(2R,4aS,6R,7R,7aS)-6-(6-ethoxy-2-methylpurin-9-yl)-4a,7-difluoro-7-methyl-2-propan-2-yloxy-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine 2-oxide;cyclohexyl 2-[[[(2S,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;[[(2S,3S,4R,5R)-4-ethynyl-2,4-difluoro-3-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate is C#C[C@]1(F)[C@H](n2cnc3c(=O)[nH]c(C)nc32)O[C@](F)(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H]1O.C#C[C@]1(F)[C@H](n2cnc3c(OCC)nc(C)nc32)O[C@](F)(CO[P@@](=O)(NC(C)C(=O)OC2CCCCC2)Oc2ccccc2)[C@H]1O.C#C[C@]1(F)[C@H](n2cnc3c(OCC)nc(C)nc32)O[C@](F)(CO[P@](=O)(NC(C)C(=O)OC2CCCCC2)Oc2ccccc2)[C@H]1O.CCOc1nc(C)nc2c1ncn2[C@@H]1O[C@]2(F)CO[P@@](=O)(OC(C)C)O[C@H]2[C@@]1(C)F.CCOc1nc(C)nc2c1ncn2[C@@H]1O[C@]2(F)CO[P@](=O)(OC(C)C)O[C@H]2[C@@]1(C)F.

What is the InChIKey of (2S,4aS,6R,7R,7aS)-6-(6-ethoxy-2-methylpurin-9-yl)-4a,7-difluoro-7-methyl-2-propan-2-yloxy-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine 2-oxide;(2R,4aS,6R,7R,7aS)-6-(6-ethoxy-2-methylpurin-9-yl)-4a,7-difluoro-7-methyl-2-propan-2-yloxy-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine 2-oxide;cyclohexyl 2-[[[(2S,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;[[(2S,3S,4R,5R)-4-ethynyl-2,4-difluoro-3-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate?

The InChIKey is MWPDNTRXJJYBAI-XVIQRGGUSA-N. The full InChI is InChI=1S/2C30H36F2N5O8P.2C17H23F2N4O6P.C13H15F2N4O13P3/c2*1-5-29(31)27(39)30(32,44-28(29)37-18-33-23-24(37)34-20(4)35-25(23)41-6-2)17-42-46(40,45-22-15-11-8-12-16-22)36-19(3)26(38)43-21-13-9-7-10-14-21;2*1-6-25-13-11-12(21-10(4)22-13)23(8-20-11)15-16(5,18)14-17(19,27-15)7-26-30(24,29-14)28-9(2)3;1-3-12(14)10(21)13(15,4-29-34(25,26)32-35(27,28)31-33(22,23)24)30-11(12)19-5-16-7-8(19)17-6(2)18-9(7)20/h2*1,8,11-12,15-16,18-19,21,27-28,39H,6-7,9-10,13-14,17H2,2-4H3,(H,36,40);2*8-9,14-15H,6-7H2,1-5H3;1,5,10-11,21H,4H2,2H3,(H,25,26)(H,27,28)(H,17,18,20)(H2,22,23,24)/t19?,27-,28+,29+,30+,46+;19?,27-,28+,29+,30+,46-;14-,15+,16+,17+,30+;14-,15+,16+,17+,30-;10-,11+,12+,13+/m00000/s1.

What are the key properties of (2S,4aS,6R,7R,7aS)-6-(6-ethoxy-2-methylpurin-9-yl)-4a,7-difluoro-7-methyl-2-propan-2-yloxy-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine 2-oxide;(2R,4aS,6R,7R,7aS)-6-(6-ethoxy-2-methylpurin-9-yl)-4a,7-difluoro-7-methyl-2-propan-2-yloxy-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine 2-oxide;cyclohexyl 2-[[[(2S,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;[[(2S,3S,4R,5R)-4-ethynyl-2,4-difluoro-3-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate?

(2S,4aS,6R,7R,7aS)-6-(6-ethoxy-2-methylpurin-9-yl)-4a,7-difluoro-7-methyl-2-propan-2-yloxy-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine 2-oxide;(2R,4aS,6R,7R,7aS)-6-(6-ethoxy-2-methylpurin-9-yl)-4a,7-difluoro-7-methyl-2-propan-2-yloxy-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine 2-oxide;cyclohexyl 2-[[[(2S,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;[[(2S,3S,4R,5R)-4-ethynyl-2,4-difluoro-3-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate has a molecular weight of 2790.15 g/mol, XLogP of 15.45, 42 rotatable bonds, 10 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4aS,6R,7R,7aS)-6-(6-ethoxy-2-methylpurin-9-yl)-4a,7-difluoro-7-methyl-2-propan-2-yloxy-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine 2-oxide;(2R,4aS,6R,7R,7aS)-6-(6-ethoxy-2-methylpurin-9-yl)-4a,7-difluoro-7-methyl-2-propan-2-yloxy-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine 2-oxide;cyclohexyl 2-[[[(2S,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;cyclohexyl 2-[[[(2S,3S,4R,5R)-5-(6-ethoxy-2-methylpurin-9-yl)-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;[[(2S,3S,4R,5R)-4-ethynyl-2,4-difluoro-3-hydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate is sourced from PubChem (CID 159692539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).