(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;(3aR,4R,6R,6aR)-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-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;(2R,3R,4S,5R)-3,4-dihydroxy-2-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-[[(2R,4S)-2-oxo-4-pyridin-4-yl-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl]oxolane-2-carbonitrile;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

C110H118ClN23O34P4 — CID 157197650

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;(3aR,4R,6R,6aR)-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-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;(2R,3R,4S,5R)-3,4-dihydroxy-2-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-[[(2R,4S)-2-oxo-4-pyridin-4-yl-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl]oxolane-2-carbonitrile;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;(3aR,4R,6R,6aR)-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-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;(2R,3R,4S,5R)-3,4-dihydroxy-2-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-[[(2R,4S)-2-oxo-4-pyridin-4-yl-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl]oxolane-2-carbonitrile;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 157197650) has the molecular formula C110H118ClN23O34P4 and a molecular weight of 2465.63 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;(3aR,4R,6R,6aR)-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-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;(2R,3R,4S,5R)-3,4-dihydroxy-2-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-[[(2R,4S)-2-oxo-4-pyridin-4-yl-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl]oxolane-2-carbonitrile;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;(3aR,4R,6R,6aR)-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-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;(2R,3R,4S,5R)-3,4-dihydroxy-2-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-[[(2R,4S)-2-oxo-4-pyridin-4-yl-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl]oxolane-2-carbonitrile;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: 157197650
• Molecular Formula: C110H118ClN23O34P4
• Molecular Weight: 2465.63 g/mol
• Exact Mass: 2463.69
• 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;(3aR,4R,6R,6aR)-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-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;(2R,3R,4S,5R)-3,4-dihydroxy-2-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-[[(2R,4S)-2-oxo-4-pyridin-4-yl-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl]oxolane-2-carbonitrile;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: 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](CO[P@@]4(=O)OCC[C@@H](c5ccncc5)O4)[C@@H](O)[C@H]3O)ccc12.Cc1ncnn2c([C@]3(C#N)O[C@H](CO[P@@]4(=O)OCC[C@@H](c5ccncc5)O4)[C@H]4OC(=O)O[C@H]43)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.C22H20N5O8P.C21H22N5O7P.C16H18N4O4/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;1-13-15-2-3-18(27(15)26-12-25-13)22(11-23)20-19(32-21(28)33-20)17(34-22)10-31-36(29)30-9-6-16(35-36)14-4-7-24-8-5-14;1-13-15-2-3-18(26(15)25-12-24-13)21(11-22)20(28)19(27)17(32-21)10-31-34(29)30-9-6-16(33-34)14-4-7-23-8-5-14;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/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;2-5,7-8,12,16-17,19-20H,6,9-10H2,1H3;2-5,7-8,12,16-17,19-20,27-28H,6,9-10H2,1H3;4-5,8,11,13-14,21H,6H2,1-3H3/t17-,22-,24-,26-,27+,41?;18-,19+,21+,22+,24-,37+;16-,17+,19+,20+,22-,36+;16-,17+,19+,20+,21-,34+;11-,13-,14-,16+/m10001/s1
• InChIKey: AQKXTAYEQYRAJI-NVJXCWAWSA-N
• XLogP: 12.17
• TPSA: 724.43 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 57
• Rotatable Bonds: 27
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2465.63
LogP ≤ 5	12.17
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	57

Computed Properties (RDKit)

• Structural Alerts: {'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;(3aR,4R,6R,6aR)-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-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;(2R,3R,4S,5R)-3,4-dihydroxy-2-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-[[(2R,4S)-2-oxo-4-pyridin-4-yl-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl]oxolane-2-carbonitrile;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;(3aR,4R,6R,6aR)-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-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;(2R,3R,4S,5R)-3,4-dihydroxy-2-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-[[(2R,4S)-2-oxo-4-pyridin-4-yl-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl]oxolane-2-carbonitrile;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 157197650) 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;(3aR,4R,6R,6aR)-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-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;(2R,3R,4S,5R)-3,4-dihydroxy-2-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-[[(2R,4S)-2-oxo-4-pyridin-4-yl-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl]oxolane-2-carbonitrile;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;(3aR,4R,6R,6aR)-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-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;(2R,3R,4S,5R)-3,4-dihydroxy-2-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-[[(2R,4S)-2-oxo-4-pyridin-4-yl-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl]oxolane-2-carbonitrile;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;(3aR,4R,6R,6aR)-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-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;(2R,3R,4S,5R)-3,4-dihydroxy-2-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-[[(2R,4S)-2-oxo-4-pyridin-4-yl-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl]oxolane-2-carbonitrile;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 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](CO[P@@]4(=O)OCC[C@@H](c5ccncc5)O4)[C@@H](O)[C@H]3O)ccc12.Cc1ncnn2c([C@]3(C#N)O[C@H](CO[P@@]4(=O)OCC[C@@H](c5ccncc5)O4)[C@H]4OC(=O)O[C@H]43)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;(3aR,4R,6R,6aR)-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-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;(2R,3R,4S,5R)-3,4-dihydroxy-2-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-[[(2R,4S)-2-oxo-4-pyridin-4-yl-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl]oxolane-2-carbonitrile;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 AQKXTAYEQYRAJI-NVJXCWAWSA-N. The full InChI is InChI=1S/C27H32ClN4O8P.C24H26N5O7P.C22H20N5O8P.C21H22N5O7P.C16H18N4O4/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;1-13-15-2-3-18(27(15)26-12-25-13)22(11-23)20-19(32-21(28)33-20)17(34-22)10-31-36(29)30-9-6-16(35-36)14-4-7-24-8-5-14;1-13-15-2-3-18(26(15)25-12-24-13)21(11-22)20(28)19(27)17(32-21)10-31-34(29)30-9-6-16(33-34)14-4-7-23-8-5-14;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/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;2-5,7-8,12,16-17,19-20H,6,9-10H2,1H3;2-5,7-8,12,16-17,19-20,27-28H,6,9-10H2,1H3;4-5,8,11,13-14,21H,6H2,1-3H3/t17-,22-,24-,26-,27+,41?;18-,19+,21+,22+,24-,37+;16-,17+,19+,20+,22-,36+;16-,17+,19+,20+,21-,34+;11-,13-,14-,16+/m10001/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;(3aR,4R,6R,6aR)-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-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;(2R,3R,4S,5R)-3,4-dihydroxy-2-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-[[(2R,4S)-2-oxo-4-pyridin-4-yl-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl]oxolane-2-carbonitrile;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;(3aR,4R,6R,6aR)-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-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;(2R,3R,4S,5R)-3,4-dihydroxy-2-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-[[(2R,4S)-2-oxo-4-pyridin-4-yl-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl]oxolane-2-carbonitrile;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 2465.63 g/mol, XLogP of 12.17, 27 rotatable bonds, 5 hydrogen bond donors, and 57 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;(3aR,4R,6R,6aR)-4-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-oxo-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;(2R,3R,4S,5R)-3,4-dihydroxy-2-(4-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-[[(2R,4S)-2-oxo-4-pyridin-4-yl-1,3,2λ5-dioxaphosphinan-2-yl]oxymethyl]oxolane-2-carbonitrile;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 157197650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).