zinc;[2-[[(3aR,4R,6R,6aR)-2,2,3a-trimethyl-6-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methyl]-5-chlorophenyl]methoxy-tert-butyl-dimethylsilane;(R)-[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methanol;[(3aS,4S,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methanone;O-[(R)-[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl] methylsulfanylmethanethioate;[2-[[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methyl]-5-chlorophenyl]methoxy-tert-butyl-dimethylsilane;(3aS,4S,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-N-methoxy-N,2,2,3a-tetramethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-4-carboxamide;1-bromo-4-chloro-2-ethylbenzene;carbanide;(2R,3S,4R,5R)-2-[[4-chloro-2-(hydroxymethyl)phenyl]methyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;methane

C195H265BrCl12N22O32S2Si5Zn — CID 157299895

About zinc;[2-[[(3aR,4R,6R,6aR)-2,2,3a-trimethyl-6-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methyl]-5-chlorophenyl]methoxy-tert-butyl-dimethylsilane;(R)-[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methanol;[(3aS,4S,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methanone;O-[(R)-[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl] methylsulfanylmethanethioate;[2-[[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methyl]-5-chlorophenyl]methoxy-tert-butyl-dimethylsilane;(3aS,4S,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-N-methoxy-N,2,2,3a-tetramethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-4-carboxamide;1-bromo-4-chloro-2-ethylbenzene;carbanide;(2R,3S,4R,5R)-2-[[4-chloro-2-(hydroxymethyl)phenyl]methyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;methane

zinc;[2-[[(3aR,4R,6R,6aR)-2,2,3a-trimethyl-6-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methyl]-5-chlorophenyl]methoxy-tert-butyl-dimethylsilane;(R)-[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methanol;[(3aS,4S,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methanone;O-[(R)-[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl] methylsulfanylmethanethioate;[2-[[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methyl]-5-chlorophenyl]methoxy-tert-butyl-dimethylsilane;(3aS,4S,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-N-methoxy-N,2,2,3a-tetramethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-4-carboxamide;1-bromo-4-chloro-2-ethylbenzene;carbanide;(2R,3S,4R,5R)-2-[[4-chloro-2-(hydroxymethyl)phenyl]methyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;methane (PubChem CID 157299895) has the molecular formula C195H265BrCl12N22O32S2Si5Zn and a molecular weight of 4204.68 g/mol. Its IUPAC name is zinc;[2-[[(3aR,4R,6R,6aR)-2,2,3a-trimethyl-6-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methyl]-5-chlorophenyl]methoxy-tert-butyl-dimethylsilane;(R)-[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methanol;[(3aS,4S,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methanone;O-[(R)-[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl] methylsulfanylmethanethioate;[2-[[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methyl]-5-chlorophenyl]methoxy-tert-butyl-dimethylsilane;(3aS,4S,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-N-methoxy-N,2,2,3a-tetramethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-4-carboxamide;1-bromo-4-chloro-2-ethylbenzene;carbanide;(2R,3S,4R,5R)-2-[[4-chloro-2-(hydroxymethyl)phenyl]methyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;methane.

Molecular Properties

• Compound Name: zinc;[2-[[(3aR,4R,6R,6aR)-2,2,3a-trimethyl-6-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methyl]-5-chlorophenyl]methoxy-tert-butyl-dimethylsilane;(R)-[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methanol;[(3aS,4S,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methanone;O-[(R)-[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl] methylsulfanylmethanethioate;[2-[[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methyl]-5-chlorophenyl]methoxy-tert-butyl-dimethylsilane;(3aS,4S,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-N-methoxy-N,2,2,3a-tetramethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-4-carboxamide;1-bromo-4-chloro-2-ethylbenzene;carbanide;(2R,3S,4R,5R)-2-[[4-chloro-2-(hydroxymethyl)phenyl]methyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;methane
• PubChem CID: 157299895
• Molecular Formula: C195H265BrCl12N22O32S2Si5Zn
• Molecular Weight: 4204.68 g/mol
• Exact Mass: 4193.28
• IUPAC Name: zinc;[2-[[(3aR,4R,6R,6aR)-2,2,3a-trimethyl-6-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methyl]-5-chlorophenyl]methoxy-tert-butyl-dimethylsilane;(R)-[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methanol;[(3aS,4S,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methanone;O-[(R)-[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl] methylsulfanylmethanethioate;[2-[[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methyl]-5-chlorophenyl]methoxy-tert-butyl-dimethylsilane;(3aS,4S,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-N-methoxy-N,2,2,3a-tetramethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-4-carboxamide;1-bromo-4-chloro-2-ethylbenzene;carbanide;(2R,3S,4R,5R)-2-[[4-chloro-2-(hydroxymethyl)phenyl]methyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;methane
• SMILES: C.C.C.C.C.CC1(C)O[C@H]2[C@H](n3ccc4c(Cl)ncnc43)O[C@H](C(=O)c3ccc(Cl)cc3CO[Si](C)(C)C(C)(C)C)[C@@]2(C)O1.CC1(C)O[C@H]2[C@H](n3ccc4c(Cl)ncnc43)O[C@H](Cc3ccc(Cl)cc3CO[Si](C)(C)C(C)(C)C)[C@@]2(C)O1.CC1(C)O[C@H]2[C@H](n3ccc4c(Cl)ncnc43)O[C@H]([C@H](O)c3ccc(Cl)cc3CO[Si](C)(C)C(C)(C)C)[C@@]2(C)O1.CCc1cc(Cl)ccc1Br.CON(C)C(=O)[C@H]1O[C@@H](n2ccc3c(Cl)ncnc32)[C@@H]2OC(C)(C)O[C@]12C.CSC(=S)O[C@H](c1ccc(Cl)cc1CO[Si](C)(C)C(C)(C)C)[C@H]1O[C@@H](n2ccc3c(Cl)ncnc32)[C@@H]2OC(C)(C)O[C@]12C.Cc1ncnc2c1ccn2[C@@H]1O[C@H](Cc2ccc(Cl)cc2CO)[C@@](C)(O)[C@H]1O.Cc1ncnc2c1ccn2[C@@H]1O[C@H](Cc2ccc(Cl)cc2CO[Si](C)(C)C(C)(C)C)[C@@]2(C)OC(C)(C)O[C@@H]12.[CH3-].[CH3-].[Zn+2]
• InChI: InChI=1S/C30H39Cl2N3O5S2Si.C29H40ClN3O4Si.C28H37Cl2N3O5Si.C28H35Cl2N3O5Si.C28H37Cl2N3O4Si.C20H22ClN3O4.C17H21ClN4O5.C8H8BrCl.5CH4.2CH3.Zn/c1-28(2,3)43(8,9)36-15-17-14-18(31)10-11-19(17)21(37-27(41)42-7)22-30(6)23(39-29(4,5)40-30)26(38-22)35-13-12-20-24(32)33-16-34-25(20)35;1-18-22-12-13-33(25(22)32-17-31-18)26-24-29(7,37-28(5,6)36-24)23(35-26)15-19-10-11-21(30)14-20(19)16-34-38(8,9)27(2,3)4;2*1-26(2,3)39(7,8)35-14-16-13-17(29)9-10-18(16)20(34)21-28(6)22(37-27(4,5)38-28)25(36-21)33-12-11-19-23(30)31-15-32-24(19)33;1-26(2,3)38(7,8)34-15-18-13-19(29)10-9-17(18)14-21-28(6)22(36-27(4,5)37-28)25(35-21)33-12-11-20-23(30)31-16-32-24(20)33;1-11-15-5-6-24(18(15)23-10-22-11)19-17(26)20(2,27)16(28-19)8-12-3-4-14(21)7-13(12)9-25;1-16(2)26-11-15(22-7-6-9-12(18)19-8-20-13(9)22)25-10(17(11,3)27-16)14(23)21(4)24-5;1-2-6-5-7(10)3-4-8(6)9;;;;;;;;/h10-14,16,21-23,26H,15H2,1-9H3;10-14,17,23-24,26H,15-16H2,1-9H3;9-13,15,20-22,25,34H,14H2,1-8H3;9-13,15,21-22,25H,14H2,1-8H3;9-13,16,21-22,25H,14-15H2,1-8H3;3-7,10,16-17,19,25-27H,8-9H2,1-2H3;6-8,10-11,15H,1-5H3;3-5H,2H2,1H3;5*1H4;2*1H3;/q;;;;;;;;;;;;;2*-1;+2/t21-,22-,23+,26-,30-;23-,24+,26-,29-;20-,21-,22+,25-,28-;2*21-,22+,25-,28-;16-,17+,19-,20-;10-,11+,15-,17-;;;;;;;;;/m1111111........./s1
• InChIKey: BBTVBDYHLZKVFM-YPWKCDHQSA-N
• XLogP: 48.29
• TPSA: 573.25 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 55
• Rotatable Bonds: 39
• Heavy Atoms: 270
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4204.68
LogP ≤ 5	48.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	55

Frequently Asked Questions

What is the IUPAC name of zinc;[2-[[(3aR,4R,6R,6aR)-2,2,3a-trimethyl-6-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methyl]-5-chlorophenyl]methoxy-tert-butyl-dimethylsilane;(R)-[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methanol;[(3aS,4S,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methanone;O-[(R)-[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl] methylsulfanylmethanethioate;[2-[[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methyl]-5-chlorophenyl]methoxy-tert-butyl-dimethylsilane;(3aS,4S,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-N-methoxy-N,2,2,3a-tetramethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-4-carboxamide;1-bromo-4-chloro-2-ethylbenzene;carbanide;(2R,3S,4R,5R)-2-[[4-chloro-2-(hydroxymethyl)phenyl]methyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;methane?

The IUPAC name of zinc;[2-[[(3aR,4R,6R,6aR)-2,2,3a-trimethyl-6-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methyl]-5-chlorophenyl]methoxy-tert-butyl-dimethylsilane;(R)-[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methanol;[(3aS,4S,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methanone;O-[(R)-[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl] methylsulfanylmethanethioate;[2-[[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methyl]-5-chlorophenyl]methoxy-tert-butyl-dimethylsilane;(3aS,4S,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-N-methoxy-N,2,2,3a-tetramethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-4-carboxamide;1-bromo-4-chloro-2-ethylbenzene;carbanide;(2R,3S,4R,5R)-2-[[4-chloro-2-(hydroxymethyl)phenyl]methyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;methane (CID 157299895) is zinc;[2-[[(3aR,4R,6R,6aR)-2,2,3a-trimethyl-6-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methyl]-5-chlorophenyl]methoxy-tert-butyl-dimethylsilane;(R)-[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methanol;[(3aS,4S,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methanone;O-[(R)-[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl] methylsulfanylmethanethioate;[2-[[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methyl]-5-chlorophenyl]methoxy-tert-butyl-dimethylsilane;(3aS,4S,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-N-methoxy-N,2,2,3a-tetramethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-4-carboxamide;1-bromo-4-chloro-2-ethylbenzene;carbanide;(2R,3S,4R,5R)-2-[[4-chloro-2-(hydroxymethyl)phenyl]methyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;methane.

What is the SMILES notation for zinc;[2-[[(3aR,4R,6R,6aR)-2,2,3a-trimethyl-6-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methyl]-5-chlorophenyl]methoxy-tert-butyl-dimethylsilane;(R)-[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methanol;[(3aS,4S,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methanone;O-[(R)-[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl] methylsulfanylmethanethioate;[2-[[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methyl]-5-chlorophenyl]methoxy-tert-butyl-dimethylsilane;(3aS,4S,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-N-methoxy-N,2,2,3a-tetramethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-4-carboxamide;1-bromo-4-chloro-2-ethylbenzene;carbanide;(2R,3S,4R,5R)-2-[[4-chloro-2-(hydroxymethyl)phenyl]methyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;methane?

The canonical SMILES for zinc;[2-[[(3aR,4R,6R,6aR)-2,2,3a-trimethyl-6-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methyl]-5-chlorophenyl]methoxy-tert-butyl-dimethylsilane;(R)-[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methanol;[(3aS,4S,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methanone;O-[(R)-[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl] methylsulfanylmethanethioate;[2-[[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methyl]-5-chlorophenyl]methoxy-tert-butyl-dimethylsilane;(3aS,4S,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-N-methoxy-N,2,2,3a-tetramethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-4-carboxamide;1-bromo-4-chloro-2-ethylbenzene;carbanide;(2R,3S,4R,5R)-2-[[4-chloro-2-(hydroxymethyl)phenyl]methyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;methane is C.C.C.C.C.CC1(C)O[C@H]2[C@H](n3ccc4c(Cl)ncnc43)O[C@H](C(=O)c3ccc(Cl)cc3CO[Si](C)(C)C(C)(C)C)[C@@]2(C)O1.CC1(C)O[C@H]2[C@H](n3ccc4c(Cl)ncnc43)O[C@H](Cc3ccc(Cl)cc3CO[Si](C)(C)C(C)(C)C)[C@@]2(C)O1.CC1(C)O[C@H]2[C@H](n3ccc4c(Cl)ncnc43)O[C@H]([C@H](O)c3ccc(Cl)cc3CO[Si](C)(C)C(C)(C)C)[C@@]2(C)O1.CCc1cc(Cl)ccc1Br.CON(C)C(=O)[C@H]1O[C@@H](n2ccc3c(Cl)ncnc32)[C@@H]2OC(C)(C)O[C@]12C.CSC(=S)O[C@H](c1ccc(Cl)cc1CO[Si](C)(C)C(C)(C)C)[C@H]1O[C@@H](n2ccc3c(Cl)ncnc32)[C@@H]2OC(C)(C)O[C@]12C.Cc1ncnc2c1ccn2[C@@H]1O[C@H](Cc2ccc(Cl)cc2CO)[C@@](C)(O)[C@H]1O.Cc1ncnc2c1ccn2[C@@H]1O[C@H](Cc2ccc(Cl)cc2CO[Si](C)(C)C(C)(C)C)[C@@]2(C)OC(C)(C)O[C@@H]12.[CH3-].[CH3-].[Zn+2].

What is the InChIKey of zinc;[2-[[(3aR,4R,6R,6aR)-2,2,3a-trimethyl-6-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methyl]-5-chlorophenyl]methoxy-tert-butyl-dimethylsilane;(R)-[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methanol;[(3aS,4S,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methanone;O-[(R)-[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl] methylsulfanylmethanethioate;[2-[[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methyl]-5-chlorophenyl]methoxy-tert-butyl-dimethylsilane;(3aS,4S,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-N-methoxy-N,2,2,3a-tetramethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-4-carboxamide;1-bromo-4-chloro-2-ethylbenzene;carbanide;(2R,3S,4R,5R)-2-[[4-chloro-2-(hydroxymethyl)phenyl]methyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;methane?

The InChIKey is BBTVBDYHLZKVFM-YPWKCDHQSA-N. The full InChI is InChI=1S/C30H39Cl2N3O5S2Si.C29H40ClN3O4Si.C28H37Cl2N3O5Si.C28H35Cl2N3O5Si.C28H37Cl2N3O4Si.C20H22ClN3O4.C17H21ClN4O5.C8H8BrCl.5CH4.2CH3.Zn/c1-28(2,3)43(8,9)36-15-17-14-18(31)10-11-19(17)21(37-27(41)42-7)22-30(6)23(39-29(4,5)40-30)26(38-22)35-13-12-20-24(32)33-16-34-25(20)35;1-18-22-12-13-33(25(22)32-17-31-18)26-24-29(7,37-28(5,6)36-24)23(35-26)15-19-10-11-21(30)14-20(19)16-34-38(8,9)27(2,3)4;2*1-26(2,3)39(7,8)35-14-16-13-17(29)9-10-18(16)20(34)21-28(6)22(37-27(4,5)38-28)25(36-21)33-12-11-19-23(30)31-15-32-24(19)33;1-26(2,3)38(7,8)34-15-18-13-19(29)10-9-17(18)14-21-28(6)22(36-27(4,5)37-28)25(35-21)33-12-11-20-23(30)31-16-32-24(20)33;1-11-15-5-6-24(18(15)23-10-22-11)19-17(26)20(2,27)16(28-19)8-12-3-4-14(21)7-13(12)9-25;1-16(2)26-11-15(22-7-6-9-12(18)19-8-20-13(9)22)25-10(17(11,3)27-16)14(23)21(4)24-5;1-2-6-5-7(10)3-4-8(6)9;;;;;;;;/h10-14,16,21-23,26H,15H2,1-9H3;10-14,17,23-24,26H,15-16H2,1-9H3;9-13,15,20-22,25,34H,14H2,1-8H3;9-13,15,21-22,25H,14H2,1-8H3;9-13,16,21-22,25H,14-15H2,1-8H3;3-7,10,16-17,19,25-27H,8-9H2,1-2H3;6-8,10-11,15H,1-5H3;3-5H,2H2,1H3;5*1H4;2*1H3;/q;;;;;;;;;;;;;2*-1;+2/t21-,22-,23+,26-,30-;23-,24+,26-,29-;20-,21-,22+,25-,28-;2*21-,22+,25-,28-;16-,17+,19-,20-;10-,11+,15-,17-;;;;;;;;;/m1111111........./s1.

What are the key properties of zinc;[2-[[(3aR,4R,6R,6aR)-2,2,3a-trimethyl-6-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methyl]-5-chlorophenyl]methoxy-tert-butyl-dimethylsilane;(R)-[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methanol;[(3aS,4S,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methanone;O-[(R)-[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl] methylsulfanylmethanethioate;[2-[[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methyl]-5-chlorophenyl]methoxy-tert-butyl-dimethylsilane;(3aS,4S,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-N-methoxy-N,2,2,3a-tetramethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-4-carboxamide;1-bromo-4-chloro-2-ethylbenzene;carbanide;(2R,3S,4R,5R)-2-[[4-chloro-2-(hydroxymethyl)phenyl]methyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;methane?

zinc;[2-[[(3aR,4R,6R,6aR)-2,2,3a-trimethyl-6-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methyl]-5-chlorophenyl]methoxy-tert-butyl-dimethylsilane;(R)-[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methanol;[(3aS,4S,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methanone;O-[(R)-[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl] methylsulfanylmethanethioate;[2-[[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methyl]-5-chlorophenyl]methoxy-tert-butyl-dimethylsilane;(3aS,4S,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-N-methoxy-N,2,2,3a-tetramethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-4-carboxamide;1-bromo-4-chloro-2-ethylbenzene;carbanide;(2R,3S,4R,5R)-2-[[4-chloro-2-(hydroxymethyl)phenyl]methyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;methane has a molecular weight of 4204.68 g/mol, XLogP of 48.29, 39 rotatable bonds, 4 hydrogen bond donors, and 55 hydrogen bond acceptors.

Where does this data come from?

All data for zinc;[2-[[(3aR,4R,6R,6aR)-2,2,3a-trimethyl-6-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methyl]-5-chlorophenyl]methoxy-tert-butyl-dimethylsilane;(R)-[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methanol;[(3aS,4S,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methanone;O-[(R)-[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl] methylsulfanylmethanethioate;[2-[[(3aR,4R,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]methyl]-5-chlorophenyl]methoxy-tert-butyl-dimethylsilane;(3aS,4S,6R,6aR)-6-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-N-methoxy-N,2,2,3a-tetramethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-4-carboxamide;1-bromo-4-chloro-2-ethylbenzene;carbanide;(2R,3S,4R,5R)-2-[[4-chloro-2-(hydroxymethyl)phenyl]methyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;methane is sourced from PubChem (CID 157299895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).