S-[2-[[(4aR,6R,7S,7aR)-4a-(chloromethyl)-6-[6-(dimethylamino)-2-methylpurin-9-yl]-7-fluoro-2-oxo-4,6,7,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]ethyl] 2,2-dimethylpropanethioate;[(2R,3R,4S,5R)-2-(chloromethyl)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methyl 2,3-dihexadecoxypropyl hydrogen phosphate;methane;propan-2-yl (2S)-2-[[[(2R,3R,4S,5R)-2-(chloromethyl)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-[2-(4-hydroxy-3-oxobutyl)phenoxy]phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3R,4S,5R)-2-(chloromethyl)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]amino]-4-methylpentanoate

C129H210Cl4F4N22O33P4S — CID 161176890

About S-[2-[[(4aR,6R,7S,7aR)-4a-(chloromethyl)-6-[6-(dimethylamino)-2-methylpurin-9-yl]-7-fluoro-2-oxo-4,6,7,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]ethyl] 2,2-dimethylpropanethioate;[(2R,3R,4S,5R)-2-(chloromethyl)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methyl 2,3-dihexadecoxypropyl hydrogen phosphate;methane;propan-2-yl (2S)-2-[[[(2R,3R,4S,5R)-2-(chloromethyl)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-[2-(4-hydroxy-3-oxobutyl)phenoxy]phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3R,4S,5R)-2-(chloromethyl)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]amino]-4-methylpentanoate

S-[2-[[(4aR,6R,7S,7aR)-4a-(chloromethyl)-6-[6-(dimethylamino)-2-methylpurin-9-yl]-7-fluoro-2-oxo-4,6,7,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]ethyl] 2,2-dimethylpropanethioate;[(2R,3R,4S,5R)-2-(chloromethyl)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methyl 2,3-dihexadecoxypropyl hydrogen phosphate;methane;propan-2-yl (2S)-2-[[[(2R,3R,4S,5R)-2-(chloromethyl)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-[2-(4-hydroxy-3-oxobutyl)phenoxy]phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3R,4S,5R)-2-(chloromethyl)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]amino]-4-methylpentanoate (PubChem CID 161176890) has the molecular formula C129H210Cl4F4N22O33P4S and a molecular weight of 2970.99 g/mol. Its IUPAC name is S-[2-[[(4aR,6R,7S,7aR)-4a-(chloromethyl)-6-[6-(dimethylamino)-2-methylpurin-9-yl]-7-fluoro-2-oxo-4,6,7,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]ethyl] 2,2-dimethylpropanethioate;[(2R,3R,4S,5R)-2-(chloromethyl)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methyl 2,3-dihexadecoxypropyl hydrogen phosphate;methane;propan-2-yl (2S)-2-[[[(2R,3R,4S,5R)-2-(chloromethyl)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-[2-(4-hydroxy-3-oxobutyl)phenoxy]phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3R,4S,5R)-2-(chloromethyl)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]amino]-4-methylpentanoate.

Molecular Properties

• Compound Name: S-[2-[[(4aR,6R,7S,7aR)-4a-(chloromethyl)-6-[6-(dimethylamino)-2-methylpurin-9-yl]-7-fluoro-2-oxo-4,6,7,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]ethyl] 2,2-dimethylpropanethioate;[(2R,3R,4S,5R)-2-(chloromethyl)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methyl 2,3-dihexadecoxypropyl hydrogen phosphate;methane;propan-2-yl (2S)-2-[[[(2R,3R,4S,5R)-2-(chloromethyl)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-[2-(4-hydroxy-3-oxobutyl)phenoxy]phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3R,4S,5R)-2-(chloromethyl)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]amino]-4-methylpentanoate
• PubChem CID: 161176890
• Molecular Formula: C129H210Cl4F4N22O33P4S
• Molecular Weight: 2970.99 g/mol
• Exact Mass: 2967.28
• IUPAC Name: S-[2-[[(4aR,6R,7S,7aR)-4a-(chloromethyl)-6-[6-(dimethylamino)-2-methylpurin-9-yl]-7-fluoro-2-oxo-4,6,7,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]ethyl] 2,2-dimethylpropanethioate;[(2R,3R,4S,5R)-2-(chloromethyl)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methyl 2,3-dihexadecoxypropyl hydrogen phosphate;methane;propan-2-yl (2S)-2-[[[(2R,3R,4S,5R)-2-(chloromethyl)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-[2-(4-hydroxy-3-oxobutyl)phenoxy]phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3R,4S,5R)-2-(chloromethyl)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]amino]-4-methylpentanoate
• SMILES: C.CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC[C@@]1(CCl)O[C@@H](n2cnc3c(N(C)C)nc(C)nc32)[C@@H](F)[C@@H]1O)OCCCCCCCCCCCCCCCC.Cc1nc(N(C)C)c2ncn([C@@H]3O[C@](CCl)(COP(=O)(N[C@@H](C)C(=O)OC(C)C)Oc4ccccc4CCC(=O)CO)[C@@H](O)[C@@H]3F)c2n1.Cc1nc(N(C)C)c2ncn([C@@H]3O[C@](CCl)(COP(=O)(N[C@@H](CC(C)C)C(=O)OC(C)C)OCOC(=O)OC(C)C)[C@@H](O)[C@@H]3F)c2n1.Cc1nc(N(C)C)c2ncn([C@@H]3O[C@]4(CCl)COP(=O)(OCCSC(=O)C(C)(C)C)O[C@H]4[C@@H]3F)c2n1
• InChI: InChI=1S/C49H90ClFN5O8P.C30H41ClFN6O9P.C28H45ClFN6O10P.C21H30ClFN5O6PS.CH4/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-60-36-42(61-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)37-62-65(58,59)63-39-49(38-50)45(57)43(51)48(64-49)56-40-52-44-46(55(4)5)53-41(3)54-47(44)56;1-17(2)45-29(42)18(3)36-48(43,47-22-10-8-7-9-20(22)11-12-21(40)13-39)44-15-30(14-31)25(41)23(32)28(46-30)38-16-33-24-26(37(5)6)34-19(4)35-27(24)38;1-15(2)10-19(26(38)44-16(3)4)34-47(40,43-14-41-27(39)45-17(5)6)42-12-28(11-29)22(37)20(30)25(46-28)36-13-31-21-23(35(8)9)32-18(7)33-24(21)36;1-12-25-16(27(5)6)14-17(26-12)28(11-24-14)18-13(23)15-21(9-22,33-18)10-32-35(30,34-15)31-7-8-36-19(29)20(2,3)4;/h40,42-43,45,48,57H,6-39H2,1-5H3,(H,58,59);7-10,16-18,23,25,28,39,41H,11-15H2,1-6H3,(H,36,43);13,15-17,19-20,22,25,37H,10-12,14H2,1-9H3,(H,34,40);11,13,15,18H,7-10H2,1-6H3;1H4/t42?,43-,45-,48+,49+;18-,23-,25-,28+,30+,48?;19-,20-,22-,25+,28+,47?;13-,15-,18+,21+,35?;/m0000./s1
• InChIKey: URXVPNOXWXWACC-ULOXXTAOSA-N
• XLogP: 24.49
• TPSA: 641.57 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 53
• Rotatable Bonds: 81
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2970.99
LogP ≤ 5	24.49
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	53

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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 S-[2-[[(4aR,6R,7S,7aR)-4a-(chloromethyl)-6-[6-(dimethylamino)-2-methylpurin-9-yl]-7-fluoro-2-oxo-4,6,7,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]ethyl] 2,2-dimethylpropanethioate;[(2R,3R,4S,5R)-2-(chloromethyl)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methyl 2,3-dihexadecoxypropyl hydrogen phosphate;methane;propan-2-yl (2S)-2-[[[(2R,3R,4S,5R)-2-(chloromethyl)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-[2-(4-hydroxy-3-oxobutyl)phenoxy]phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3R,4S,5R)-2-(chloromethyl)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]amino]-4-methylpentanoate?

The IUPAC name of S-[2-[[(4aR,6R,7S,7aR)-4a-(chloromethyl)-6-[6-(dimethylamino)-2-methylpurin-9-yl]-7-fluoro-2-oxo-4,6,7,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]ethyl] 2,2-dimethylpropanethioate;[(2R,3R,4S,5R)-2-(chloromethyl)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methyl 2,3-dihexadecoxypropyl hydrogen phosphate;methane;propan-2-yl (2S)-2-[[[(2R,3R,4S,5R)-2-(chloromethyl)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-[2-(4-hydroxy-3-oxobutyl)phenoxy]phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3R,4S,5R)-2-(chloromethyl)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]amino]-4-methylpentanoate (CID 161176890) is S-[2-[[(4aR,6R,7S,7aR)-4a-(chloromethyl)-6-[6-(dimethylamino)-2-methylpurin-9-yl]-7-fluoro-2-oxo-4,6,7,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]ethyl] 2,2-dimethylpropanethioate;[(2R,3R,4S,5R)-2-(chloromethyl)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methyl 2,3-dihexadecoxypropyl hydrogen phosphate;methane;propan-2-yl (2S)-2-[[[(2R,3R,4S,5R)-2-(chloromethyl)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-[2-(4-hydroxy-3-oxobutyl)phenoxy]phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3R,4S,5R)-2-(chloromethyl)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]amino]-4-methylpentanoate.

What is the SMILES notation for S-[2-[[(4aR,6R,7S,7aR)-4a-(chloromethyl)-6-[6-(dimethylamino)-2-methylpurin-9-yl]-7-fluoro-2-oxo-4,6,7,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]ethyl] 2,2-dimethylpropanethioate;[(2R,3R,4S,5R)-2-(chloromethyl)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methyl 2,3-dihexadecoxypropyl hydrogen phosphate;methane;propan-2-yl (2S)-2-[[[(2R,3R,4S,5R)-2-(chloromethyl)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-[2-(4-hydroxy-3-oxobutyl)phenoxy]phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3R,4S,5R)-2-(chloromethyl)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]amino]-4-methylpentanoate?

The canonical SMILES for S-[2-[[(4aR,6R,7S,7aR)-4a-(chloromethyl)-6-[6-(dimethylamino)-2-methylpurin-9-yl]-7-fluoro-2-oxo-4,6,7,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]ethyl] 2,2-dimethylpropanethioate;[(2R,3R,4S,5R)-2-(chloromethyl)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methyl 2,3-dihexadecoxypropyl hydrogen phosphate;methane;propan-2-yl (2S)-2-[[[(2R,3R,4S,5R)-2-(chloromethyl)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-[2-(4-hydroxy-3-oxobutyl)phenoxy]phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3R,4S,5R)-2-(chloromethyl)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]amino]-4-methylpentanoate is C.CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC[C@@]1(CCl)O[C@@H](n2cnc3c(N(C)C)nc(C)nc32)[C@@H](F)[C@@H]1O)OCCCCCCCCCCCCCCCC.Cc1nc(N(C)C)c2ncn([C@@H]3O[C@](CCl)(COP(=O)(N[C@@H](C)C(=O)OC(C)C)Oc4ccccc4CCC(=O)CO)[C@@H](O)[C@@H]3F)c2n1.Cc1nc(N(C)C)c2ncn([C@@H]3O[C@](CCl)(COP(=O)(N[C@@H](CC(C)C)C(=O)OC(C)C)OCOC(=O)OC(C)C)[C@@H](O)[C@@H]3F)c2n1.Cc1nc(N(C)C)c2ncn([C@@H]3O[C@]4(CCl)COP(=O)(OCCSC(=O)C(C)(C)C)O[C@H]4[C@@H]3F)c2n1.

What is the InChIKey of S-[2-[[(4aR,6R,7S,7aR)-4a-(chloromethyl)-6-[6-(dimethylamino)-2-methylpurin-9-yl]-7-fluoro-2-oxo-4,6,7,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]ethyl] 2,2-dimethylpropanethioate;[(2R,3R,4S,5R)-2-(chloromethyl)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methyl 2,3-dihexadecoxypropyl hydrogen phosphate;methane;propan-2-yl (2S)-2-[[[(2R,3R,4S,5R)-2-(chloromethyl)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-[2-(4-hydroxy-3-oxobutyl)phenoxy]phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3R,4S,5R)-2-(chloromethyl)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]amino]-4-methylpentanoate?

The InChIKey is URXVPNOXWXWACC-ULOXXTAOSA-N. The full InChI is InChI=1S/C49H90ClFN5O8P.C30H41ClFN6O9P.C28H45ClFN6O10P.C21H30ClFN5O6PS.CH4/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-60-36-42(61-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)37-62-65(58,59)63-39-49(38-50)45(57)43(51)48(64-49)56-40-52-44-46(55(4)5)53-41(3)54-47(44)56;1-17(2)45-29(42)18(3)36-48(43,47-22-10-8-7-9-20(22)11-12-21(40)13-39)44-15-30(14-31)25(41)23(32)28(46-30)38-16-33-24-26(37(5)6)34-19(4)35-27(24)38;1-15(2)10-19(26(38)44-16(3)4)34-47(40,43-14-41-27(39)45-17(5)6)42-12-28(11-29)22(37)20(30)25(46-28)36-13-31-21-23(35(8)9)32-18(7)33-24(21)36;1-12-25-16(27(5)6)14-17(26-12)28(11-24-14)18-13(23)15-21(9-22,33-18)10-32-35(30,34-15)31-7-8-36-19(29)20(2,3)4;/h40,42-43,45,48,57H,6-39H2,1-5H3,(H,58,59);7-10,16-18,23,25,28,39,41H,11-15H2,1-6H3,(H,36,43);13,15-17,19-20,22,25,37H,10-12,14H2,1-9H3,(H,34,40);11,13,15,18H,7-10H2,1-6H3;1H4/t42?,43-,45-,48+,49+;18-,23-,25-,28+,30+,48?;19-,20-,22-,25+,28+,47?;13-,15-,18+,21+,35?;/m0000./s1.

What are the key properties of S-[2-[[(4aR,6R,7S,7aR)-4a-(chloromethyl)-6-[6-(dimethylamino)-2-methylpurin-9-yl]-7-fluoro-2-oxo-4,6,7,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]ethyl] 2,2-dimethylpropanethioate;[(2R,3R,4S,5R)-2-(chloromethyl)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methyl 2,3-dihexadecoxypropyl hydrogen phosphate;methane;propan-2-yl (2S)-2-[[[(2R,3R,4S,5R)-2-(chloromethyl)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-[2-(4-hydroxy-3-oxobutyl)phenoxy]phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3R,4S,5R)-2-(chloromethyl)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]amino]-4-methylpentanoate?

S-[2-[[(4aR,6R,7S,7aR)-4a-(chloromethyl)-6-[6-(dimethylamino)-2-methylpurin-9-yl]-7-fluoro-2-oxo-4,6,7,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]ethyl] 2,2-dimethylpropanethioate;[(2R,3R,4S,5R)-2-(chloromethyl)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methyl 2,3-dihexadecoxypropyl hydrogen phosphate;methane;propan-2-yl (2S)-2-[[[(2R,3R,4S,5R)-2-(chloromethyl)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-[2-(4-hydroxy-3-oxobutyl)phenoxy]phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3R,4S,5R)-2-(chloromethyl)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]amino]-4-methylpentanoate has a molecular weight of 2970.99 g/mol, XLogP of 24.49, 81 rotatable bonds, 7 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for S-[2-[[(4aR,6R,7S,7aR)-4a-(chloromethyl)-6-[6-(dimethylamino)-2-methylpurin-9-yl]-7-fluoro-2-oxo-4,6,7,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]ethyl] 2,2-dimethylpropanethioate;[(2R,3R,4S,5R)-2-(chloromethyl)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methyl 2,3-dihexadecoxypropyl hydrogen phosphate;methane;propan-2-yl (2S)-2-[[[(2R,3R,4S,5R)-2-(chloromethyl)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-[2-(4-hydroxy-3-oxobutyl)phenoxy]phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3R,4S,5R)-2-(chloromethyl)-5-[6-(dimethylamino)-2-methylpurin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]amino]-4-methylpentanoate is sourced from PubChem (CID 161176890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).