(3aR,4R,6R,6aR)-2,2-dimethyl-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-6-[[(2R,4S)-2-oxo-4-pyridin-4-yl-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl]-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbonitrile;(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbonitrile;[[(2R,3R,4R,5R)-5-cyano-3,4-dihydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[(2R,3R,4R,5R)-5-cyano-3,4-dihydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl dihydrogen phosphate;methane;methyl (2S)-2-[[[(2R,3R,4R,5S)-5-(4-amino-2-methyl-1,4-dihydropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,5-trihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-3-[(4-chlorophenoxy)-[[(2R,3R,4R,5R)-5-cyano-3,4-dihydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy]phosphoryl]-2-methylpropanoate

C129H162ClN26O48P5 — CID 161049638

About (3aR,4R,6R,6aR)-2,2-dimethyl-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-6-[[(2R,4S)-2-oxo-4-pyridin-4-yl-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl]-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbonitrile;(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbonitrile;[[(2R,3R,4R,5R)-5-cyano-3,4-dihydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[(2R,3R,4R,5R)-5-cyano-3,4-dihydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl dihydrogen phosphate;methane;methyl (2S)-2-[[[(2R,3R,4R,5S)-5-(4-amino-2-methyl-1,4-dihydropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,5-trihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-3-[(4-chlorophenoxy)-[[(2R,3R,4R,5R)-5-cyano-3,4-dihydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy]phosphoryl]-2-methylpropanoate

(3aR,4R,6R,6aR)-2,2-dimethyl-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-6-[[(2R,4S)-2-oxo-4-pyridin-4-yl-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl]-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbonitrile;(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbonitrile;[[(2R,3R,4R,5R)-5-cyano-3,4-dihydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[(2R,3R,4R,5R)-5-cyano-3,4-dihydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl dihydrogen phosphate;methane;methyl (2S)-2-[[[(2R,3R,4R,5S)-5-(4-amino-2-methyl-1,4-dihydropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,5-trihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-3-[(4-chlorophenoxy)-[[(2R,3R,4R,5R)-5-cyano-3,4-dihydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy]phosphoryl]-2-methylpropanoate (PubChem CID 161049638) has the molecular formula C129H162ClN26O48P5 and a molecular weight of 3035.17 g/mol. Its IUPAC name is (3aR,4R,6R,6aR)-2,2-dimethyl-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-6-[[(2R,4S)-2-oxo-4-pyridin-4-yl-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl]-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbonitrile;(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbonitrile;[[(2R,3R,4R,5R)-5-cyano-3,4-dihydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[(2R,3R,4R,5R)-5-cyano-3,4-dihydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl dihydrogen phosphate;methane;methyl (2S)-2-[[[(2R,3R,4R,5S)-5-(4-amino-2-methyl-1,4-dihydropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,5-trihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-3-[(4-chlorophenoxy)-[[(2R,3R,4R,5R)-5-cyano-3,4-dihydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy]phosphoryl]-2-methylpropanoate.

Molecular Properties

• Compound Name: (3aR,4R,6R,6aR)-2,2-dimethyl-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-6-[[(2R,4S)-2-oxo-4-pyridin-4-yl-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl]-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbonitrile;(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbonitrile;[[(2R,3R,4R,5R)-5-cyano-3,4-dihydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[(2R,3R,4R,5R)-5-cyano-3,4-dihydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl dihydrogen phosphate;methane;methyl (2S)-2-[[[(2R,3R,4R,5S)-5-(4-amino-2-methyl-1,4-dihydropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,5-trihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-3-[(4-chlorophenoxy)-[[(2R,3R,4R,5R)-5-cyano-3,4-dihydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy]phosphoryl]-2-methylpropanoate
• PubChem CID: 161049638
• Molecular Formula: C129H162ClN26O48P5
• Molecular Weight: 3035.17 g/mol
• Exact Mass: 3032.94
• IUPAC Name: (3aR,4R,6R,6aR)-2,2-dimethyl-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-6-[[(2R,4S)-2-oxo-4-pyridin-4-yl-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl]-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbonitrile;(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbonitrile;[[(2R,3R,4R,5R)-5-cyano-3,4-dihydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[(2R,3R,4R,5R)-5-cyano-3,4-dihydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl dihydrogen phosphate;methane;methyl (2S)-2-[[[(2R,3R,4R,5S)-5-(4-amino-2-methyl-1,4-dihydropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,5-trihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-3-[(4-chlorophenoxy)-[[(2R,3R,4R,5R)-5-cyano-3,4-dihydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy]phosphoryl]-2-methylpropanoate
• SMILES: C.COC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@](O)(c2ccc3n2NC(C)=NC3N)[C@](C)(O)[C@@H]1O)Oc1ccccc1.Cc1ncnn2c([C@]3(C#N)O[C@H](CO)[C@H]4OC(C)(C)O[C@H]43)ccc12.Cc1ncnn2c([C@]3(C#N)O[C@H](COP(=O)(C[C@@H](C)C(=O)OC(C)C)Oc4ccc(Cl)cc4)[C@@H](O)[C@@]3(C)O)ccc12.Cc1ncnn2c([C@]3(C#N)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@]3(C)O)ccc12.Cc1ncnn2c([C@]3(C#N)O[C@H](COP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C)[C@@H](O)[C@@]3(C)O)ccc12.Cc1ncnn2c([C@]3(C#N)O[C@H](CO[P@@]4(=O)OCC[C@@H](c5ccncc5)O4)[C@H]4OC(C)(C)O[C@H]43)ccc12
• InChI: InChI=1S/C27H32ClN4O8P.C24H26N5O7P.C24H33N4O13P.C23H32N5O9P.C16H18N4O4.C14H17N4O7P.CH4/c1-16(2)38-25(34)17(3)13-41(36,40-20-8-6-19(28)7-9-20)37-12-22-24(33)26(5,35)27(14-29,39-22)23-11-10-21-18(4)30-15-31-32(21)23;1-15-17-4-5-20(29(17)28-14-27-15)24(13-25)22-21(34-23(2,3)35-22)19(33-24)12-32-37(30)31-11-8-18(36-37)16-6-9-26-10-7-16;1-14(2)39-21(30)34-12-37-42(33,38-13-35-22(31)40-15(3)4)36-9-18-20(29)23(6,32)24(10-25,41-18)19-8-7-17-16(5)26-11-27-28(17)19;1-13(21(30)34-4)27-38(33,37-15-8-6-5-7-9-15)35-12-17-19(29)22(3,31)23(32,36-17)18-11-10-16-20(24)25-14(2)26-28(16)18;1-9-10-4-5-12(20(10)19-8-18-9)16(7-17)14-13(11(6-21)22-16)23-15(2,3)24-14;1-8-9-3-4-11(18(9)17-7-16-8)14(6-15)13(2,20)12(19)10(25-14)5-24-26(21,22)23;/h6-11,15-17,22,24,33,35H,12-13H2,1-5H3;4-7,9-10,14,18-19,21-22H,8,11-12H2,1-3H3;7-8,11,14-15,18,20,29,32H,9,12-13H2,1-6H3;5-11,13,17,19-20,29,31-32H,12,24H2,1-4H3,(H,25,26)(H,27,33);4-5,8,11,13-14,21H,6H2,1-3H3;3-4,7,10,12,19-20H,5H2,1-2H3,(H2,21,22,23);1H4/t17-,22-,24-,26-,27+,41?;18-,19+,21+,22+,24-,37+;18-,20-,23-,24+;13-,17+,19+,20?,22+,23-,38?;11-,13-,14-,16+;10-,12-,13-,14+;/m101011./s1
• InChIKey: UBYPQBRSVCTURU-MWJNBZNOSA-N
• XLogP: 10.75
• TPSA: 995.76 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 71
• Rotatable Bonds: 42
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3035.17
LogP ≤ 5	10.75
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	71

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 (3aR,4R,6R,6aR)-2,2-dimethyl-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-6-[[(2R,4S)-2-oxo-4-pyridin-4-yl-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl]-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbonitrile;(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbonitrile;[[(2R,3R,4R,5R)-5-cyano-3,4-dihydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[(2R,3R,4R,5R)-5-cyano-3,4-dihydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl dihydrogen phosphate;methane;methyl (2S)-2-[[[(2R,3R,4R,5S)-5-(4-amino-2-methyl-1,4-dihydropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,5-trihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-3-[(4-chlorophenoxy)-[[(2R,3R,4R,5R)-5-cyano-3,4-dihydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy]phosphoryl]-2-methylpropanoate?

The IUPAC name of (3aR,4R,6R,6aR)-2,2-dimethyl-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-6-[[(2R,4S)-2-oxo-4-pyridin-4-yl-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl]-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbonitrile;(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbonitrile;[[(2R,3R,4R,5R)-5-cyano-3,4-dihydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[(2R,3R,4R,5R)-5-cyano-3,4-dihydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl dihydrogen phosphate;methane;methyl (2S)-2-[[[(2R,3R,4R,5S)-5-(4-amino-2-methyl-1,4-dihydropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,5-trihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-3-[(4-chlorophenoxy)-[[(2R,3R,4R,5R)-5-cyano-3,4-dihydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy]phosphoryl]-2-methylpropanoate (CID 161049638) is (3aR,4R,6R,6aR)-2,2-dimethyl-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-6-[[(2R,4S)-2-oxo-4-pyridin-4-yl-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl]-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbonitrile;(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbonitrile;[[(2R,3R,4R,5R)-5-cyano-3,4-dihydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[(2R,3R,4R,5R)-5-cyano-3,4-dihydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl dihydrogen phosphate;methane;methyl (2S)-2-[[[(2R,3R,4R,5S)-5-(4-amino-2-methyl-1,4-dihydropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,5-trihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-3-[(4-chlorophenoxy)-[[(2R,3R,4R,5R)-5-cyano-3,4-dihydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy]phosphoryl]-2-methylpropanoate.

What is the SMILES notation for (3aR,4R,6R,6aR)-2,2-dimethyl-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-6-[[(2R,4S)-2-oxo-4-pyridin-4-yl-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl]-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbonitrile;(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbonitrile;[[(2R,3R,4R,5R)-5-cyano-3,4-dihydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[(2R,3R,4R,5R)-5-cyano-3,4-dihydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl dihydrogen phosphate;methane;methyl (2S)-2-[[[(2R,3R,4R,5S)-5-(4-amino-2-methyl-1,4-dihydropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,5-trihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-3-[(4-chlorophenoxy)-[[(2R,3R,4R,5R)-5-cyano-3,4-dihydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy]phosphoryl]-2-methylpropanoate?

The canonical SMILES for (3aR,4R,6R,6aR)-2,2-dimethyl-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-6-[[(2R,4S)-2-oxo-4-pyridin-4-yl-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl]-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbonitrile;(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbonitrile;[[(2R,3R,4R,5R)-5-cyano-3,4-dihydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[(2R,3R,4R,5R)-5-cyano-3,4-dihydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl dihydrogen phosphate;methane;methyl (2S)-2-[[[(2R,3R,4R,5S)-5-(4-amino-2-methyl-1,4-dihydropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,5-trihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-3-[(4-chlorophenoxy)-[[(2R,3R,4R,5R)-5-cyano-3,4-dihydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy]phosphoryl]-2-methylpropanoate is C.COC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@](O)(c2ccc3n2NC(C)=NC3N)[C@](C)(O)[C@@H]1O)Oc1ccccc1.Cc1ncnn2c([C@]3(C#N)O[C@H](CO)[C@H]4OC(C)(C)O[C@H]43)ccc12.Cc1ncnn2c([C@]3(C#N)O[C@H](COP(=O)(C[C@@H](C)C(=O)OC(C)C)Oc4ccc(Cl)cc4)[C@@H](O)[C@@]3(C)O)ccc12.Cc1ncnn2c([C@]3(C#N)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@]3(C)O)ccc12.Cc1ncnn2c([C@]3(C#N)O[C@H](COP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C)[C@@H](O)[C@@]3(C)O)ccc12.Cc1ncnn2c([C@]3(C#N)O[C@H](CO[P@@]4(=O)OCC[C@@H](c5ccncc5)O4)[C@H]4OC(C)(C)O[C@H]43)ccc12.

What is the InChIKey of (3aR,4R,6R,6aR)-2,2-dimethyl-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-6-[[(2R,4S)-2-oxo-4-pyridin-4-yl-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl]-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbonitrile;(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbonitrile;[[(2R,3R,4R,5R)-5-cyano-3,4-dihydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[(2R,3R,4R,5R)-5-cyano-3,4-dihydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl dihydrogen phosphate;methane;methyl (2S)-2-[[[(2R,3R,4R,5S)-5-(4-amino-2-methyl-1,4-dihydropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,5-trihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-3-[(4-chlorophenoxy)-[[(2R,3R,4R,5R)-5-cyano-3,4-dihydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy]phosphoryl]-2-methylpropanoate?

The InChIKey is UBYPQBRSVCTURU-MWJNBZNOSA-N. The full InChI is InChI=1S/C27H32ClN4O8P.C24H26N5O7P.C24H33N4O13P.C23H32N5O9P.C16H18N4O4.C14H17N4O7P.CH4/c1-16(2)38-25(34)17(3)13-41(36,40-20-8-6-19(28)7-9-20)37-12-22-24(33)26(5,35)27(14-29,39-22)23-11-10-21-18(4)30-15-31-32(21)23;1-15-17-4-5-20(29(17)28-14-27-15)24(13-25)22-21(34-23(2,3)35-22)19(33-24)12-32-37(30)31-11-8-18(36-37)16-6-9-26-10-7-16;1-14(2)39-21(30)34-12-37-42(33,38-13-35-22(31)40-15(3)4)36-9-18-20(29)23(6,32)24(10-25,41-18)19-8-7-17-16(5)26-11-27-28(17)19;1-13(21(30)34-4)27-38(33,37-15-8-6-5-7-9-15)35-12-17-19(29)22(3,31)23(32,36-17)18-11-10-16-20(24)25-14(2)26-28(16)18;1-9-10-4-5-12(20(10)19-8-18-9)16(7-17)14-13(11(6-21)22-16)23-15(2,3)24-14;1-8-9-3-4-11(18(9)17-7-16-8)14(6-15)13(2,20)12(19)10(25-14)5-24-26(21,22)23;/h6-11,15-17,22,24,33,35H,12-13H2,1-5H3;4-7,9-10,14,18-19,21-22H,8,11-12H2,1-3H3;7-8,11,14-15,18,20,29,32H,9,12-13H2,1-6H3;5-11,13,17,19-20,29,31-32H,12,24H2,1-4H3,(H,25,26)(H,27,33);4-5,8,11,13-14,21H,6H2,1-3H3;3-4,7,10,12,19-20H,5H2,1-2H3,(H2,21,22,23);1H4/t17-,22-,24-,26-,27+,41?;18-,19+,21+,22+,24-,37+;18-,20-,23-,24+;13-,17+,19+,20?,22+,23-,38?;11-,13-,14-,16+;10-,12-,13-,14+;/m101011./s1.

What are the key properties of (3aR,4R,6R,6aR)-2,2-dimethyl-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-6-[[(2R,4S)-2-oxo-4-pyridin-4-yl-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl]-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbonitrile;(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbonitrile;[[(2R,3R,4R,5R)-5-cyano-3,4-dihydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[(2R,3R,4R,5R)-5-cyano-3,4-dihydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl dihydrogen phosphate;methane;methyl (2S)-2-[[[(2R,3R,4R,5S)-5-(4-amino-2-methyl-1,4-dihydropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,5-trihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-3-[(4-chlorophenoxy)-[[(2R,3R,4R,5R)-5-cyano-3,4-dihydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy]phosphoryl]-2-methylpropanoate?

(3aR,4R,6R,6aR)-2,2-dimethyl-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-6-[[(2R,4S)-2-oxo-4-pyridin-4-yl-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl]-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbonitrile;(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbonitrile;[[(2R,3R,4R,5R)-5-cyano-3,4-dihydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[(2R,3R,4R,5R)-5-cyano-3,4-dihydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl dihydrogen phosphate;methane;methyl (2S)-2-[[[(2R,3R,4R,5S)-5-(4-amino-2-methyl-1,4-dihydropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,5-trihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-3-[(4-chlorophenoxy)-[[(2R,3R,4R,5R)-5-cyano-3,4-dihydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy]phosphoryl]-2-methylpropanoate has a molecular weight of 3035.17 g/mol, XLogP of 10.75, 42 rotatable bonds, 15 hydrogen bond donors, and 71 hydrogen bond acceptors.

Where does this data come from?

All data for (3aR,4R,6R,6aR)-2,2-dimethyl-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-6-[[(2R,4S)-2-oxo-4-pyridin-4-yl-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl]-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbonitrile;(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbonitrile;[[(2R,3R,4R,5R)-5-cyano-3,4-dihydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[(2R,3R,4R,5R)-5-cyano-3,4-dihydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl dihydrogen phosphate;methane;methyl (2S)-2-[[[(2R,3R,4R,5S)-5-(4-amino-2-methyl-1,4-dihydropyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4,5-trihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-3-[(4-chlorophenoxy)-[[(2R,3R,4R,5R)-5-cyano-3,4-dihydroxy-4-methyl-5-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy]phosphoryl]-2-methylpropanoate is sourced from PubChem (CID 161049638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).