(R)-[(3aR,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-chlorophenyl]methanol;[(3aR,4R,6S,6aS)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-chlorophenyl]methanone;3-[2-[(R)-[(3aR,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-hydroxymethyl]-5-chlorophenyl]propan-1-ol;7-[(3aR,4R,6R,6aR)-6-[(1R)-7-chloro-1,3,4,5-tetrahydro-2-benzoxepin-1-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-chloropyrrolo[2,3-d]pyrimidine;azane;hydrate

C104H129Cl8N13O20Si2 — CID 157350380

About (R)-[(3aR,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-chlorophenyl]methanol;[(3aR,4R,6S,6aS)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-chlorophenyl]methanone;3-[2-[(R)-[(3aR,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-hydroxymethyl]-5-chlorophenyl]propan-1-ol;7-[(3aR,4R,6R,6aR)-6-[(1R)-7-chloro-1,3,4,5-tetrahydro-2-benzoxepin-1-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-chloropyrrolo[2,3-d]pyrimidine;azane;hydrate

(R)-[(3aR,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-chlorophenyl]methanol;[(3aR,4R,6S,6aS)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-chlorophenyl]methanone;3-[2-[(R)-[(3aR,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-hydroxymethyl]-5-chlorophenyl]propan-1-ol;7-[(3aR,4R,6R,6aR)-6-[(1R)-7-chloro-1,3,4,5-tetrahydro-2-benzoxepin-1-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-chloropyrrolo[2,3-d]pyrimidine;azane;hydrate (PubChem CID 157350380) has the molecular formula C104H129Cl8N13O20Si2 and a molecular weight of 2221.04 g/mol. Its IUPAC name is (R)-[(3aR,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-chlorophenyl]methanol;[(3aR,4R,6S,6aS)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-chlorophenyl]methanone;3-[2-[(R)-[(3aR,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-hydroxymethyl]-5-chlorophenyl]propan-1-ol;7-[(3aR,4R,6R,6aR)-6-[(1R)-7-chloro-1,3,4,5-tetrahydro-2-benzoxepin-1-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-chloropyrrolo[2,3-d]pyrimidine;azane;hydrate.

Molecular Properties

• Compound Name: (R)-[(3aR,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-chlorophenyl]methanol;[(3aR,4R,6S,6aS)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-chlorophenyl]methanone;3-[2-[(R)-[(3aR,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-hydroxymethyl]-5-chlorophenyl]propan-1-ol;7-[(3aR,4R,6R,6aR)-6-[(1R)-7-chloro-1,3,4,5-tetrahydro-2-benzoxepin-1-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-chloropyrrolo[2,3-d]pyrimidine;azane;hydrate
• PubChem CID: 157350380
• Molecular Formula: C104H129Cl8N13O20Si2
• Molecular Weight: 2221.04 g/mol
• Exact Mass: 2215.65
• IUPAC Name: (R)-[(3aR,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-chlorophenyl]methanol;[(3aR,4R,6S,6aS)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-chlorophenyl]methanone;3-[2-[(R)-[(3aR,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-hydroxymethyl]-5-chlorophenyl]propan-1-ol;7-[(3aR,4R,6R,6aR)-6-[(1R)-7-chloro-1,3,4,5-tetrahydro-2-benzoxepin-1-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-chloropyrrolo[2,3-d]pyrimidine;azane;hydrate
• SMILES: CC1(C)O[C@@H]2[C@H](O1)[C@@H](C(=O)c1ccc(Cl)cc1CCCO[Si](C)(C)C(C)(C)C)O[C@H]2n1ccc2c(Cl)ncnc21.CC1(C)O[C@H]2[C@@H](O1)[C@H](n1ccc3c(Cl)ncnc31)O[C@@H]2[C@@H]1OCCCc2cc(Cl)ccc21.CC1(C)O[C@H]2[C@@H](O1)[C@H](n1ccc3c(Cl)ncnc31)O[C@@H]2[C@H](O)c1ccc(Cl)cc1CCCO.CC1(C)O[C@H]2[C@@H](O1)[C@H](n1ccc3c(Cl)ncnc31)O[C@@H]2[C@H](O)c1ccc(Cl)cc1CCCO[Si](C)(C)C(C)(C)C.N.O
• InChI: InChI=1S/C29H39Cl2N3O5Si.C29H37Cl2N3O5Si.C23H25Cl2N3O5.C23H23Cl2N3O4.H3N.H2O/c2*1-28(2,3)40(6,7)36-14-8-9-17-15-18(30)10-11-19(17)21(35)22-23-24(39-29(4,5)38-23)27(37-22)34-13-12-20-25(31)32-16-33-26(20)34;1-23(2)32-18-17(16(30)14-6-5-13(24)10-12(14)4-3-9-29)31-22(19(18)33-23)28-8-7-15-20(25)26-11-27-21(15)28;1-23(2)31-18-17(16-14-6-5-13(24)10-12(14)4-3-9-29-16)30-22(19(18)32-23)28-8-7-15-20(25)26-11-27-21(15)28;;/h10-13,15-16,21-24,27,35H,8-9,14H2,1-7H3;10-13,15-16,22-24,27H,8-9,14H2,1-7H3;5-8,10-11,16-19,22,29-30H,3-4,9H2,1-2H3;5-8,10-11,16-19,22H,3-4,9H2,1-2H3;1H3;1H2/t21-,22-,23-,24-,27-;22-,23-,24-,27-;2*16-,17-,18-,19-,22-;;/m1111../s1
• InChIKey: NBDBOGJBADAVCS-KSCAXDAUSA-N
• XLogP: 21.85
• TPSA: 405.55 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 32
• Rotatable Bonds: 24
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2221.04
LogP ≤ 5	21.85
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (R)-[(3aR,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-chlorophenyl]methanol;[(3aR,4R,6S,6aS)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-chlorophenyl]methanone;3-[2-[(R)-[(3aR,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-hydroxymethyl]-5-chlorophenyl]propan-1-ol;7-[(3aR,4R,6R,6aR)-6-[(1R)-7-chloro-1,3,4,5-tetrahydro-2-benzoxepin-1-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-chloropyrrolo[2,3-d]pyrimidine;azane;hydrate?

The IUPAC name of (R)-[(3aR,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-chlorophenyl]methanol;[(3aR,4R,6S,6aS)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-chlorophenyl]methanone;3-[2-[(R)-[(3aR,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-hydroxymethyl]-5-chlorophenyl]propan-1-ol;7-[(3aR,4R,6R,6aR)-6-[(1R)-7-chloro-1,3,4,5-tetrahydro-2-benzoxepin-1-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-chloropyrrolo[2,3-d]pyrimidine;azane;hydrate (CID 157350380) is (R)-[(3aR,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-chlorophenyl]methanol;[(3aR,4R,6S,6aS)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-chlorophenyl]methanone;3-[2-[(R)-[(3aR,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-hydroxymethyl]-5-chlorophenyl]propan-1-ol;7-[(3aR,4R,6R,6aR)-6-[(1R)-7-chloro-1,3,4,5-tetrahydro-2-benzoxepin-1-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-chloropyrrolo[2,3-d]pyrimidine;azane;hydrate.

What is the SMILES notation for (R)-[(3aR,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-chlorophenyl]methanol;[(3aR,4R,6S,6aS)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-chlorophenyl]methanone;3-[2-[(R)-[(3aR,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-hydroxymethyl]-5-chlorophenyl]propan-1-ol;7-[(3aR,4R,6R,6aR)-6-[(1R)-7-chloro-1,3,4,5-tetrahydro-2-benzoxepin-1-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-chloropyrrolo[2,3-d]pyrimidine;azane;hydrate?

The canonical SMILES for (R)-[(3aR,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-chlorophenyl]methanol;[(3aR,4R,6S,6aS)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-chlorophenyl]methanone;3-[2-[(R)-[(3aR,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-hydroxymethyl]-5-chlorophenyl]propan-1-ol;7-[(3aR,4R,6R,6aR)-6-[(1R)-7-chloro-1,3,4,5-tetrahydro-2-benzoxepin-1-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-chloropyrrolo[2,3-d]pyrimidine;azane;hydrate is CC1(C)O[C@@H]2[C@H](O1)[C@@H](C(=O)c1ccc(Cl)cc1CCCO[Si](C)(C)C(C)(C)C)O[C@H]2n1ccc2c(Cl)ncnc21.CC1(C)O[C@H]2[C@@H](O1)[C@H](n1ccc3c(Cl)ncnc31)O[C@@H]2[C@@H]1OCCCc2cc(Cl)ccc21.CC1(C)O[C@H]2[C@@H](O1)[C@H](n1ccc3c(Cl)ncnc31)O[C@@H]2[C@H](O)c1ccc(Cl)cc1CCCO.CC1(C)O[C@H]2[C@@H](O1)[C@H](n1ccc3c(Cl)ncnc31)O[C@@H]2[C@H](O)c1ccc(Cl)cc1CCCO[Si](C)(C)C(C)(C)C.N.O.

What is the InChIKey of (R)-[(3aR,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-chlorophenyl]methanol;[(3aR,4R,6S,6aS)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-chlorophenyl]methanone;3-[2-[(R)-[(3aR,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-hydroxymethyl]-5-chlorophenyl]propan-1-ol;7-[(3aR,4R,6R,6aR)-6-[(1R)-7-chloro-1,3,4,5-tetrahydro-2-benzoxepin-1-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-chloropyrrolo[2,3-d]pyrimidine;azane;hydrate?

The InChIKey is NBDBOGJBADAVCS-KSCAXDAUSA-N. The full InChI is InChI=1S/C29H39Cl2N3O5Si.C29H37Cl2N3O5Si.C23H25Cl2N3O5.C23H23Cl2N3O4.H3N.H2O/c2*1-28(2,3)40(6,7)36-14-8-9-17-15-18(30)10-11-19(17)21(35)22-23-24(39-29(4,5)38-23)27(37-22)34-13-12-20-25(31)32-16-33-26(20)34;1-23(2)32-18-17(16(30)14-6-5-13(24)10-12(14)4-3-9-29)31-22(19(18)33-23)28-8-7-15-20(25)26-11-27-21(15)28;1-23(2)31-18-17(16-14-6-5-13(24)10-12(14)4-3-9-29-16)30-22(19(18)32-23)28-8-7-15-20(25)26-11-27-21(15)28;;/h10-13,15-16,21-24,27,35H,8-9,14H2,1-7H3;10-13,15-16,22-24,27H,8-9,14H2,1-7H3;5-8,10-11,16-19,22,29-30H,3-4,9H2,1-2H3;5-8,10-11,16-19,22H,3-4,9H2,1-2H3;1H3;1H2/t21-,22-,23-,24-,27-;22-,23-,24-,27-;2*16-,17-,18-,19-,22-;;/m1111../s1.

What are the key properties of (R)-[(3aR,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-chlorophenyl]methanol;[(3aR,4R,6S,6aS)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-chlorophenyl]methanone;3-[2-[(R)-[(3aR,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-hydroxymethyl]-5-chlorophenyl]propan-1-ol;7-[(3aR,4R,6R,6aR)-6-[(1R)-7-chloro-1,3,4,5-tetrahydro-2-benzoxepin-1-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-chloropyrrolo[2,3-d]pyrimidine;azane;hydrate?

(R)-[(3aR,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-chlorophenyl]methanol;[(3aR,4R,6S,6aS)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-chlorophenyl]methanone;3-[2-[(R)-[(3aR,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-hydroxymethyl]-5-chlorophenyl]propan-1-ol;7-[(3aR,4R,6R,6aR)-6-[(1R)-7-chloro-1,3,4,5-tetrahydro-2-benzoxepin-1-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-chloropyrrolo[2,3-d]pyrimidine;azane;hydrate has a molecular weight of 2221.04 g/mol, XLogP of 21.85, 24 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (R)-[(3aR,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-chlorophenyl]methanol;[(3aR,4R,6S,6aS)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-chlorophenyl]methanone;3-[2-[(R)-[(3aR,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-hydroxymethyl]-5-chlorophenyl]propan-1-ol;7-[(3aR,4R,6R,6aR)-6-[(1R)-7-chloro-1,3,4,5-tetrahydro-2-benzoxepin-1-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-chloropyrrolo[2,3-d]pyrimidine;azane;hydrate is sourced from PubChem (CID 157350380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).