(4aS,6R,7R,7aS)-6-(6-ethoxy-2-methylpurin-9-yl)-4a-fluoro-7-methyl-2-oxo-2-propan-2-yloxy-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol;[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[[(2R,3S,4R,5R)-2-(fluoromethyl)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenylmethoxyphosphoryl]oxymethyl oxetan-3-yl carbonate;1-[[(2R,3S,4R,5R)-2-(fluoromethyl)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(1-propan-2-yloxycarbonyloxyethoxy)phosphoryl]oxyethyl propan-2-yl carbonate;[(2R,3S,4R,5R)-2-(fluoromethyl)-4-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)-2-[[1-propan-2-yloxycarbonyloxyethoxy(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl]oxolan-3-yl] 2-amino-3-methylbutanoate

C114H168F6N13O61P5 — CID 158616068

About (4aS,6R,7R,7aS)-6-(6-ethoxy-2-methylpurin-9-yl)-4a-fluoro-7-methyl-2-oxo-2-propan-2-yloxy-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol;[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[[(2R,3S,4R,5R)-2-(fluoromethyl)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenylmethoxyphosphoryl]oxymethyl oxetan-3-yl carbonate;1-[[(2R,3S,4R,5R)-2-(fluoromethyl)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(1-propan-2-yloxycarbonyloxyethoxy)phosphoryl]oxyethyl propan-2-yl carbonate;[(2R,3S,4R,5R)-2-(fluoromethyl)-4-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)-2-[[1-propan-2-yloxycarbonyloxyethoxy(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl]oxolan-3-yl] 2-amino-3-methylbutanoate

(4aS,6R,7R,7aS)-6-(6-ethoxy-2-methylpurin-9-yl)-4a-fluoro-7-methyl-2-oxo-2-propan-2-yloxy-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol;[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[[(2R,3S,4R,5R)-2-(fluoromethyl)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenylmethoxyphosphoryl]oxymethyl oxetan-3-yl carbonate;1-[[(2R,3S,4R,5R)-2-(fluoromethyl)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(1-propan-2-yloxycarbonyloxyethoxy)phosphoryl]oxyethyl propan-2-yl carbonate;[(2R,3S,4R,5R)-2-(fluoromethyl)-4-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)-2-[[1-propan-2-yloxycarbonyloxyethoxy(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl]oxolan-3-yl] 2-amino-3-methylbutanoate (PubChem CID 158616068) has the molecular formula C114H168F6N13O61P5 and a molecular weight of 2965.49 g/mol. Its IUPAC name is (4aS,6R,7R,7aS)-6-(6-ethoxy-2-methylpurin-9-yl)-4a-fluoro-7-methyl-2-oxo-2-propan-2-yloxy-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol;[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[[(2R,3S,4R,5R)-2-(fluoromethyl)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenylmethoxyphosphoryl]oxymethyl oxetan-3-yl carbonate;1-[[(2R,3S,4R,5R)-2-(fluoromethyl)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(1-propan-2-yloxycarbonyloxyethoxy)phosphoryl]oxyethyl propan-2-yl carbonate;[(2R,3S,4R,5R)-2-(fluoromethyl)-4-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)-2-[[1-propan-2-yloxycarbonyloxyethoxy(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl]oxolan-3-yl] 2-amino-3-methylbutanoate.

Molecular Properties

• Compound Name: (4aS,6R,7R,7aS)-6-(6-ethoxy-2-methylpurin-9-yl)-4a-fluoro-7-methyl-2-oxo-2-propan-2-yloxy-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol;[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[[(2R,3S,4R,5R)-2-(fluoromethyl)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenylmethoxyphosphoryl]oxymethyl oxetan-3-yl carbonate;1-[[(2R,3S,4R,5R)-2-(fluoromethyl)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(1-propan-2-yloxycarbonyloxyethoxy)phosphoryl]oxyethyl propan-2-yl carbonate;[(2R,3S,4R,5R)-2-(fluoromethyl)-4-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)-2-[[1-propan-2-yloxycarbonyloxyethoxy(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl]oxolan-3-yl] 2-amino-3-methylbutanoate
• PubChem CID: 158616068
• Molecular Formula: C114H168F6N13O61P5
• Molecular Weight: 2965.49 g/mol
• Exact Mass: 2963.90
• IUPAC Name: (4aS,6R,7R,7aS)-6-(6-ethoxy-2-methylpurin-9-yl)-4a-fluoro-7-methyl-2-oxo-2-propan-2-yloxy-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol;[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[[(2R,3S,4R,5R)-2-(fluoromethyl)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenylmethoxyphosphoryl]oxymethyl oxetan-3-yl carbonate;1-[[(2R,3S,4R,5R)-2-(fluoromethyl)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(1-propan-2-yloxycarbonyloxyethoxy)phosphoryl]oxyethyl propan-2-yl carbonate;[(2R,3S,4R,5R)-2-(fluoromethyl)-4-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)-2-[[1-propan-2-yloxycarbonyloxyethoxy(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl]oxolan-3-yl] 2-amino-3-methylbutanoate
• SMILES: C=C1NC(=O)C=CN1[C@@H]1O[C@](CF)(COP(=O)(OC(C)OC(=O)OC(C)C)OC(C)OC(=O)OC(C)C)[C@@H](O)[C@@]1(C)O.C=C1NC(=O)C=CN1[C@@H]1O[C@](CF)(COP(=O)(OCOC(=O)OC(C)C)OC(C)OC(=O)OC(C)C)[C@@H](OC(=O)C(N)C(C)C)[C@@]1(C)O.C=C1NC(=O)C=CN1[C@@H]1O[C@](CF)(COP(=O)(OCOC(=O)OC2COC2)OCc2ccccc2)[C@@H](O)[C@@]1(C)O.C=C1NC(=O)C=CN1[C@@H]1O[C@](F)(COP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C)[C@@H](O)[C@@]1(C)F.CCOc1nc(C)nc2c1ncn2[C@@H]1O[C@]2(F)COP(=O)(OC(C)C)O[C@H]2[C@@]1(C)O
• InChI: InChI=1S/C28H45FN3O15P.C24H38FN2O14P.C24H30FN2O12P.C21H31F2N2O13P.C17H24FN4O7P/c1-15(2)21(30)22(34)45-23-27(9,37)24(32-11-10-20(33)31-18(32)7)46-28(23,12-29)13-40-48(38,41-14-39-25(35)42-16(3)4)47-19(8)44-26(36)43-17(5)6;1-13(2)35-21(30)37-16(6)40-42(33,41-17(7)38-22(31)36-14(3)4)34-12-24(11-25)19(29)23(8,32)20(39-24)27-10-9-18(28)26-15(27)5;1-16-26-19(28)8-9-27(16)21-23(2,31)20(29)24(13-25,39-21)14-36-40(32,35-10-17-6-4-3-5-7-17)37-15-34-22(30)38-18-11-33-12-18;1-12(2)36-18(28)31-10-34-39(30,35-11-32-19(29)37-13(3)4)33-9-21(23)16(27)20(6,22)17(38-21)25-8-7-15(26)24-14(25)5;1-6-25-13-11-12(20-10(4)21-13)22(8-19-11)15-16(5,23)14-17(18,27-15)7-26-30(24,29-14)28-9(2)3/h10-11,15-17,19,21,23-24,37H,7,12-14,30H2,1-6,8-9H3,(H,31,33);9-10,13-14,16-17,19-20,29,32H,5,11-12H2,1-4,6-8H3,(H,26,28);3-9,18,20-21,29,31H,1,10-15H2,2H3,(H,26,28);7-8,12-13,16-17,27H,5,9-11H2,1-4,6H3,(H,24,26);8-9,14-15,23H,6-7H2,1-5H3/t19?,21?,23-,24+,27+,28+,48?;16?,17?,19-,20+,23+,24+,42?;20-,21+,23+,24+,40?;16-,17+,20+,21+;14-,15+,16+,17+,30?/m00000/s1
• InChIKey: HXKCRRUFFVNXAT-UTFAYHRCSA-N
• XLogP: 11.84
• TPSA: 904.01 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 70
• Rotatable Bonds: 58
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2965.49
LogP ≤ 5	11.84
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	70

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4aS,6R,7R,7aS)-6-(6-ethoxy-2-methylpurin-9-yl)-4a-fluoro-7-methyl-2-oxo-2-propan-2-yloxy-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol;[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[[(2R,3S,4R,5R)-2-(fluoromethyl)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenylmethoxyphosphoryl]oxymethyl oxetan-3-yl carbonate;1-[[(2R,3S,4R,5R)-2-(fluoromethyl)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(1-propan-2-yloxycarbonyloxyethoxy)phosphoryl]oxyethyl propan-2-yl carbonate;[(2R,3S,4R,5R)-2-(fluoromethyl)-4-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)-2-[[1-propan-2-yloxycarbonyloxyethoxy(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl]oxolan-3-yl] 2-amino-3-methylbutanoate?

The IUPAC name of (4aS,6R,7R,7aS)-6-(6-ethoxy-2-methylpurin-9-yl)-4a-fluoro-7-methyl-2-oxo-2-propan-2-yloxy-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol;[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[[(2R,3S,4R,5R)-2-(fluoromethyl)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenylmethoxyphosphoryl]oxymethyl oxetan-3-yl carbonate;1-[[(2R,3S,4R,5R)-2-(fluoromethyl)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(1-propan-2-yloxycarbonyloxyethoxy)phosphoryl]oxyethyl propan-2-yl carbonate;[(2R,3S,4R,5R)-2-(fluoromethyl)-4-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)-2-[[1-propan-2-yloxycarbonyloxyethoxy(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl]oxolan-3-yl] 2-amino-3-methylbutanoate (CID 158616068) is (4aS,6R,7R,7aS)-6-(6-ethoxy-2-methylpurin-9-yl)-4a-fluoro-7-methyl-2-oxo-2-propan-2-yloxy-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol;[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[[(2R,3S,4R,5R)-2-(fluoromethyl)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenylmethoxyphosphoryl]oxymethyl oxetan-3-yl carbonate;1-[[(2R,3S,4R,5R)-2-(fluoromethyl)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(1-propan-2-yloxycarbonyloxyethoxy)phosphoryl]oxyethyl propan-2-yl carbonate;[(2R,3S,4R,5R)-2-(fluoromethyl)-4-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)-2-[[1-propan-2-yloxycarbonyloxyethoxy(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl]oxolan-3-yl] 2-amino-3-methylbutanoate.

What is the SMILES notation for (4aS,6R,7R,7aS)-6-(6-ethoxy-2-methylpurin-9-yl)-4a-fluoro-7-methyl-2-oxo-2-propan-2-yloxy-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol;[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[[(2R,3S,4R,5R)-2-(fluoromethyl)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenylmethoxyphosphoryl]oxymethyl oxetan-3-yl carbonate;1-[[(2R,3S,4R,5R)-2-(fluoromethyl)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(1-propan-2-yloxycarbonyloxyethoxy)phosphoryl]oxyethyl propan-2-yl carbonate;[(2R,3S,4R,5R)-2-(fluoromethyl)-4-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)-2-[[1-propan-2-yloxycarbonyloxyethoxy(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl]oxolan-3-yl] 2-amino-3-methylbutanoate?

The canonical SMILES for (4aS,6R,7R,7aS)-6-(6-ethoxy-2-methylpurin-9-yl)-4a-fluoro-7-methyl-2-oxo-2-propan-2-yloxy-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol;[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[[(2R,3S,4R,5R)-2-(fluoromethyl)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenylmethoxyphosphoryl]oxymethyl oxetan-3-yl carbonate;1-[[(2R,3S,4R,5R)-2-(fluoromethyl)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(1-propan-2-yloxycarbonyloxyethoxy)phosphoryl]oxyethyl propan-2-yl carbonate;[(2R,3S,4R,5R)-2-(fluoromethyl)-4-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)-2-[[1-propan-2-yloxycarbonyloxyethoxy(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl]oxolan-3-yl] 2-amino-3-methylbutanoate is C=C1NC(=O)C=CN1[C@@H]1O[C@](CF)(COP(=O)(OC(C)OC(=O)OC(C)C)OC(C)OC(=O)OC(C)C)[C@@H](O)[C@@]1(C)O.C=C1NC(=O)C=CN1[C@@H]1O[C@](CF)(COP(=O)(OCOC(=O)OC(C)C)OC(C)OC(=O)OC(C)C)[C@@H](OC(=O)C(N)C(C)C)[C@@]1(C)O.C=C1NC(=O)C=CN1[C@@H]1O[C@](CF)(COP(=O)(OCOC(=O)OC2COC2)OCc2ccccc2)[C@@H](O)[C@@]1(C)O.C=C1NC(=O)C=CN1[C@@H]1O[C@](F)(COP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C)[C@@H](O)[C@@]1(C)F.CCOc1nc(C)nc2c1ncn2[C@@H]1O[C@]2(F)COP(=O)(OC(C)C)O[C@H]2[C@@]1(C)O.

What is the InChIKey of (4aS,6R,7R,7aS)-6-(6-ethoxy-2-methylpurin-9-yl)-4a-fluoro-7-methyl-2-oxo-2-propan-2-yloxy-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol;[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[[(2R,3S,4R,5R)-2-(fluoromethyl)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenylmethoxyphosphoryl]oxymethyl oxetan-3-yl carbonate;1-[[(2R,3S,4R,5R)-2-(fluoromethyl)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(1-propan-2-yloxycarbonyloxyethoxy)phosphoryl]oxyethyl propan-2-yl carbonate;[(2R,3S,4R,5R)-2-(fluoromethyl)-4-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)-2-[[1-propan-2-yloxycarbonyloxyethoxy(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl]oxolan-3-yl] 2-amino-3-methylbutanoate?

The InChIKey is HXKCRRUFFVNXAT-UTFAYHRCSA-N. The full InChI is InChI=1S/C28H45FN3O15P.C24H38FN2O14P.C24H30FN2O12P.C21H31F2N2O13P.C17H24FN4O7P/c1-15(2)21(30)22(34)45-23-27(9,37)24(32-11-10-20(33)31-18(32)7)46-28(23,12-29)13-40-48(38,41-14-39-25(35)42-16(3)4)47-19(8)44-26(36)43-17(5)6;1-13(2)35-21(30)37-16(6)40-42(33,41-17(7)38-22(31)36-14(3)4)34-12-24(11-25)19(29)23(8,32)20(39-24)27-10-9-18(28)26-15(27)5;1-16-26-19(28)8-9-27(16)21-23(2,31)20(29)24(13-25,39-21)14-36-40(32,35-10-17-6-4-3-5-7-17)37-15-34-22(30)38-18-11-33-12-18;1-12(2)36-18(28)31-10-34-39(30,35-11-32-19(29)37-13(3)4)33-9-21(23)16(27)20(6,22)17(38-21)25-8-7-15(26)24-14(25)5;1-6-25-13-11-12(20-10(4)21-13)22(8-19-11)15-16(5,23)14-17(18,27-15)7-26-30(24,29-14)28-9(2)3/h10-11,15-17,19,21,23-24,37H,7,12-14,30H2,1-6,8-9H3,(H,31,33);9-10,13-14,16-17,19-20,29,32H,5,11-12H2,1-4,6-8H3,(H,26,28);3-9,18,20-21,29,31H,1,10-15H2,2H3,(H,26,28);7-8,12-13,16-17,27H,5,9-11H2,1-4,6H3,(H,24,26);8-9,14-15,23H,6-7H2,1-5H3/t19?,21?,23-,24+,27+,28+,48?;16?,17?,19-,20+,23+,24+,42?;20-,21+,23+,24+,40?;16-,17+,20+,21+;14-,15+,16+,17+,30?/m00000/s1.

What are the key properties of (4aS,6R,7R,7aS)-6-(6-ethoxy-2-methylpurin-9-yl)-4a-fluoro-7-methyl-2-oxo-2-propan-2-yloxy-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol;[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[[(2R,3S,4R,5R)-2-(fluoromethyl)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenylmethoxyphosphoryl]oxymethyl oxetan-3-yl carbonate;1-[[(2R,3S,4R,5R)-2-(fluoromethyl)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(1-propan-2-yloxycarbonyloxyethoxy)phosphoryl]oxyethyl propan-2-yl carbonate;[(2R,3S,4R,5R)-2-(fluoromethyl)-4-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)-2-[[1-propan-2-yloxycarbonyloxyethoxy(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl]oxolan-3-yl] 2-amino-3-methylbutanoate?

(4aS,6R,7R,7aS)-6-(6-ethoxy-2-methylpurin-9-yl)-4a-fluoro-7-methyl-2-oxo-2-propan-2-yloxy-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol;[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[[(2R,3S,4R,5R)-2-(fluoromethyl)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenylmethoxyphosphoryl]oxymethyl oxetan-3-yl carbonate;1-[[(2R,3S,4R,5R)-2-(fluoromethyl)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(1-propan-2-yloxycarbonyloxyethoxy)phosphoryl]oxyethyl propan-2-yl carbonate;[(2R,3S,4R,5R)-2-(fluoromethyl)-4-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)-2-[[1-propan-2-yloxycarbonyloxyethoxy(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl]oxolan-3-yl] 2-amino-3-methylbutanoate has a molecular weight of 2965.49 g/mol, XLogP of 11.84, 58 rotatable bonds, 12 hydrogen bond donors, and 70 hydrogen bond acceptors.

Where does this data come from?

All data for (4aS,6R,7R,7aS)-6-(6-ethoxy-2-methylpurin-9-yl)-4a-fluoro-7-methyl-2-oxo-2-propan-2-yloxy-6,7a-dihydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol;[[(2S,3S,4R,5R)-2,4-difluoro-3-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[[(2R,3S,4R,5R)-2-(fluoromethyl)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenylmethoxyphosphoryl]oxymethyl oxetan-3-yl carbonate;1-[[(2R,3S,4R,5R)-2-(fluoromethyl)-3,4-dihydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-(1-propan-2-yloxycarbonyloxyethoxy)phosphoryl]oxyethyl propan-2-yl carbonate;[(2R,3S,4R,5R)-2-(fluoromethyl)-4-hydroxy-4-methyl-5-(2-methylidene-4-oxopyrimidin-1-yl)-2-[[1-propan-2-yloxycarbonyloxyethoxy(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl]oxolan-3-yl] 2-amino-3-methylbutanoate is sourced from PubChem (CID 158616068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).