bis(7-[(3aS,4S,6S,6aR)-6-ethyl-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine);tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;chloro-[chloro-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane;(1S,2R,3R,5S)-3-[di(propan-2-yl)silyloxymethyl]-2-[hydroxy-di(propan-2-yl)silyl]oxy-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;(1R,2R,3R,5S)-3-[di(propan-2-yl)silyloxymethyl]-2-[hydroxy-di(propan-2-yl)silyl]oxy-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;(1S,2R,3R,5S)-3-(hydroxymethyl)-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentane-1,2-diol;methanol;hydrochloride

C160H244Cl3N15O32Si6 — CID 162028510

IUPACbis(7-[(3aS,4S,6S,6aR)-6-ethyl-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine);tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;chloro-[chloro-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane;(1S,2R,3R,5S)-3-[di(propan-2-yl)silyloxymethyl]-2-[hydroxy-di(propan-2-yl)silyl]oxy-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;(1R,2R,3R,5S)-3-[di(propan-2-yl)silyloxymethyl]-2-[hydroxy-di(propan-2-yl)silyl]oxy-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;(1S,2R,3R,5S)-3-(hydroxymethyl)-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentane-1,2-diol;methanol;hydrochloride
SMILESCC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CC(C)[Si](Cl)(O[Si](Cl)(C(C)C)C(C)C)C(C)C.CC[C@H]1C[C@@H](c2cn(COCc3ccccc3)c3c(OC)ncnc23)[C@@H]2OC(C)(C)O[C@H]12.CC[C@H]1C[C@@H](c2cn(COCc3ccccc3)c3c(OC)ncnc23)[C@@H]2OC(C)(C)O[C@H]12.CO.COc1ncnc2c([C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)cn(COCc3ccccc3)c12.COc1ncnc2c([C@@H]3C[C@H](CO[SiH](C(C)C)C(C)C)[C@@H](O[Si](O)(C(C)C)C(C)C)[C@@H]3O)cn(COCc3ccccc3)c12.COc1ncnc2c([C@@H]3C[C@H](CO[SiH](C(C)C)C(C)C)[C@@H](O[Si](O)(C(C)C)C(C)C)[C@H]3O)cn(COCc3ccccc3)c12.Cl
InChIInChI=1S/2C33H53N3O6Si2.2C25H31N3O4.C21H25N3O5.C12H28Cl2OSi2.C10H18O5.CH4O.ClH/c2*1-21(2)43(22(3)4)41-18-26-15-27(31(37)32(26)42-44(38,23(5)6)24(7)8)28-16-36(20-40-17-25-13-11-10-12-14-25)30-29(28)34-19-35-33(30)39-9;2*1-5-17-11-18(23-22(17)31-25(2,3)32-23)19-12-28(15-30-13-16-9-7-6-8-10-16)21-20(19)26-14-27-24(21)29-4;1-28-21-18-17(22-11-23-21)16(15-7-14(9-25)19(26)20(15)27)8-24(18)12-29-10-13-5-3-2-4-6-13;1-9(2)16(13,10(3)4)15-17(14,11(5)6)12(7)8;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-2;/h2*10-14,16,19,21-24,26-27,31-32,37-38,43H,15,17-18,20H2,1-9H3;2*6-10,12,14,17-18,22-23H,5,11,13,15H2,1-4H3;2-6,8,11,14-15,19-20,25-27H,7,9-10,12H2,1H3;9-12H,1-8H3;1-6H3;2H,1H3;1H/t26-,27+,31+,32-;26-,27+,31-,32-;2*17-,18-,22+,23-;14-,15+,19-,20+;;;;/m11001..../s1
InChIKeyXWCWDXBFDGESKL-KGHSDDGPSA-N
MW3164.66 g/mol
LogP32.19
Rot. Bonds57

About bis(7-[(3aS,4S,6S,6aR)-6-ethyl-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine);tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;chloro-[chloro-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane;(1S,2R,3R,5S)-3-[di(propan-2-yl)silyloxymethyl]-2-[hydroxy-di(propan-2-yl)silyl]oxy-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;(1R,2R,3R,5S)-3-[di(propan-2-yl)silyloxymethyl]-2-[hydroxy-di(propan-2-yl)silyl]oxy-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;(1S,2R,3R,5S)-3-(hydroxymethyl)-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentane-1,2-diol;methanol;hydrochloride

bis(7-[(3aS,4S,6S,6aR)-6-ethyl-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine);tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;chloro-[chloro-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane;(1S,2R,3R,5S)-3-[di(propan-2-yl)silyloxymethyl]-2-[hydroxy-di(propan-2-yl)silyl]oxy-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;(1R,2R,3R,5S)-3-[di(propan-2-yl)silyloxymethyl]-2-[hydroxy-di(propan-2-yl)silyl]oxy-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;(1S,2R,3R,5S)-3-(hydroxymethyl)-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentane-1,2-diol;methanol;hydrochloride (PubChem CID 162028510) has the molecular formula C160H244Cl3N15O32Si6 and a molecular weight of 3164.66 g/mol. Its IUPAC name is bis(7-[(3aS,4S,6S,6aR)-6-ethyl-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine);tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;chloro-[chloro-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane;(1S,2R,3R,5S)-3-[di(propan-2-yl)silyloxymethyl]-2-[hydroxy-di(propan-2-yl)silyl]oxy-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;(1R,2R,3R,5S)-3-[di(propan-2-yl)silyloxymethyl]-2-[hydroxy-di(propan-2-yl)silyl]oxy-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;(1S,2R,3R,5S)-3-(hydroxymethyl)-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentane-1,2-diol;methanol;hydrochloride.

Molecular Properties

Compound Namebis(7-[(3aS,4S,6S,6aR)-6-ethyl-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine);tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;chloro-[chloro-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane;(1S,2R,3R,5S)-3-[di(propan-2-yl)silyloxymethyl]-2-[hydroxy-di(propan-2-yl)silyl]oxy-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;(1R,2R,3R,5S)-3-[di(propan-2-yl)silyloxymethyl]-2-[hydroxy-di(propan-2-yl)silyl]oxy-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;(1S,2R,3R,5S)-3-(hydroxymethyl)-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentane-1,2-diol;methanol;hydrochloride
PubChem CID162028510
Molecular FormulaC160H244Cl3N15O32Si6
Molecular Weight3164.66 g/mol
Exact Mass3160.56
IUPAC Namebis(7-[(3aS,4S,6S,6aR)-6-ethyl-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine);tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;chloro-[chloro-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane;(1S,2R,3R,5S)-3-[di(propan-2-yl)silyloxymethyl]-2-[hydroxy-di(propan-2-yl)silyl]oxy-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;(1R,2R,3R,5S)-3-[di(propan-2-yl)silyloxymethyl]-2-[hydroxy-di(propan-2-yl)silyl]oxy-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;(1S,2R,3R,5S)-3-(hydroxymethyl)-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentane-1,2-diol;methanol;hydrochloride
SMILESCC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CC(C)[Si](Cl)(O[Si](Cl)(C(C)C)C(C)C)C(C)C.CC[C@H]1C[C@@H](c2cn(COCc3ccccc3)c3c(OC)ncnc23)[C@@H]2OC(C)(C)O[C@H]12.CC[C@H]1C[C@@H](c2cn(COCc3ccccc3)c3c(OC)ncnc23)[C@@H]2OC(C)(C)O[C@H]12.CO.COc1ncnc2c([C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)cn(COCc3ccccc3)c12.COc1ncnc2c([C@@H]3C[C@H](CO[SiH](C(C)C)C(C)C)[C@@H](O[Si](O)(C(C)C)C(C)C)[C@@H]3O)cn(COCc3ccccc3)c12.COc1ncnc2c([C@@H]3C[C@H](CO[SiH](C(C)C)C(C)C)[C@@H](O[Si](O)(C(C)C)C(C)C)[C@H]3O)cn(COCc3ccccc3)c12.Cl
InChIInChI=1S/2C33H53N3O6Si2.2C25H31N3O4.C21H25N3O5.C12H28Cl2OSi2.C10H18O5.CH4O.ClH/c2*1-21(2)43(22(3)4)41-18-26-15-27(31(37)32(26)42-44(38,23(5)6)24(7)8)28-16-36(20-40-17-25-13-11-10-12-14-25)30-29(28)34-19-35-33(30)39-9;2*1-5-17-11-18(23-22(17)31-25(2,3)32-23)19-12-28(15-30-13-16-9-7-6-8-10-16)21-20(19)26-14-27-24(21)29-4;1-28-21-18-17(22-11-23-21)16(15-7-14(9-25)19(26)20(15)27)8-24(18)12-29-10-13-5-3-2-4-6-13;1-9(2)16(13,10(3)4)15-17(14,11(5)6)12(7)8;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-2;/h2*10-14,16,19,21-24,26-27,31-32,37-38,43H,15,17-18,20H2,1-9H3;2*6-10,12,14,17-18,22-23H,5,11,13,15H2,1-4H3;2-6,8,11,14-15,19-20,25-27H,7,9-10,12H2,1H3;9-12H,1-8H3;1-6H3;2H,1H3;1H/t26-,27+,31+,32-;26-,27+,31-,32-;2*17-,18-,22+,23-;14-,15+,19-,20+;;;;/m11001..../s1
InChIKeyXWCWDXBFDGESKL-KGHSDDGPSA-N
XLogP32.19
TPSA552.59 Ų
H-Bond Donors8
H-Bond Acceptors47
Rotatable Bonds57
Heavy Atoms216
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003164.66
LogP ≤ 532.19
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

Analyze bis(7-[(3aS,4S,6S,6aR)-6-ethyl-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine);tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;chloro-[chloro-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane;(1S,2R,3R,5S)-3-[di(propan-2-yl)silyloxymethyl]-2-[hydroxy-di(propan-2-yl)silyl]oxy-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;(1R,2R,3R,5S)-3-[di(propan-2-yl)silyloxymethyl]-2-[hydroxy-di(propan-2-yl)silyl]oxy-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;(1S,2R,3R,5S)-3-(hydroxymethyl)-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentane-1,2-diol;methanol;hydrochloride with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of bis(7-[(3aS,4S,6S,6aR)-6-ethyl-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine);tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;chloro-[chloro-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane;(1S,2R,3R,5S)-3-[di(propan-2-yl)silyloxymethyl]-2-[hydroxy-di(propan-2-yl)silyl]oxy-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;(1R,2R,3R,5S)-3-[di(propan-2-yl)silyloxymethyl]-2-[hydroxy-di(propan-2-yl)silyl]oxy-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;(1S,2R,3R,5S)-3-(hydroxymethyl)-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentane-1,2-diol;methanol;hydrochloride?
The IUPAC name of bis(7-[(3aS,4S,6S,6aR)-6-ethyl-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine);tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;chloro-[chloro-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane;(1S,2R,3R,5S)-3-[di(propan-2-yl)silyloxymethyl]-2-[hydroxy-di(propan-2-yl)silyl]oxy-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;(1R,2R,3R,5S)-3-[di(propan-2-yl)silyloxymethyl]-2-[hydroxy-di(propan-2-yl)silyl]oxy-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;(1S,2R,3R,5S)-3-(hydroxymethyl)-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentane-1,2-diol;methanol;hydrochloride (CID 162028510) is bis(7-[(3aS,4S,6S,6aR)-6-ethyl-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine);tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;chloro-[chloro-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane;(1S,2R,3R,5S)-3-[di(propan-2-yl)silyloxymethyl]-2-[hydroxy-di(propan-2-yl)silyl]oxy-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;(1R,2R,3R,5S)-3-[di(propan-2-yl)silyloxymethyl]-2-[hydroxy-di(propan-2-yl)silyl]oxy-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;(1S,2R,3R,5S)-3-(hydroxymethyl)-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentane-1,2-diol;methanol;hydrochloride.
What is the SMILES notation for bis(7-[(3aS,4S,6S,6aR)-6-ethyl-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine);tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;chloro-[chloro-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane;(1S,2R,3R,5S)-3-[di(propan-2-yl)silyloxymethyl]-2-[hydroxy-di(propan-2-yl)silyl]oxy-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;(1R,2R,3R,5S)-3-[di(propan-2-yl)silyloxymethyl]-2-[hydroxy-di(propan-2-yl)silyl]oxy-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;(1S,2R,3R,5S)-3-(hydroxymethyl)-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentane-1,2-diol;methanol;hydrochloride?
The canonical SMILES for bis(7-[(3aS,4S,6S,6aR)-6-ethyl-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine);tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;chloro-[chloro-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane;(1S,2R,3R,5S)-3-[di(propan-2-yl)silyloxymethyl]-2-[hydroxy-di(propan-2-yl)silyl]oxy-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;(1R,2R,3R,5S)-3-[di(propan-2-yl)silyloxymethyl]-2-[hydroxy-di(propan-2-yl)silyl]oxy-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;(1S,2R,3R,5S)-3-(hydroxymethyl)-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentane-1,2-diol;methanol;hydrochloride is CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CC(C)[Si](Cl)(O[Si](Cl)(C(C)C)C(C)C)C(C)C.CC[C@H]1C[C@@H](c2cn(COCc3ccccc3)c3c(OC)ncnc23)[C@@H]2OC(C)(C)O[C@H]12.CC[C@H]1C[C@@H](c2cn(COCc3ccccc3)c3c(OC)ncnc23)[C@@H]2OC(C)(C)O[C@H]12.CO.COc1ncnc2c([C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)cn(COCc3ccccc3)c12.COc1ncnc2c([C@@H]3C[C@H](CO[SiH](C(C)C)C(C)C)[C@@H](O[Si](O)(C(C)C)C(C)C)[C@@H]3O)cn(COCc3ccccc3)c12.COc1ncnc2c([C@@H]3C[C@H](CO[SiH](C(C)C)C(C)C)[C@@H](O[Si](O)(C(C)C)C(C)C)[C@H]3O)cn(COCc3ccccc3)c12.Cl.
What is the InChIKey of bis(7-[(3aS,4S,6S,6aR)-6-ethyl-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine);tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;chloro-[chloro-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane;(1S,2R,3R,5S)-3-[di(propan-2-yl)silyloxymethyl]-2-[hydroxy-di(propan-2-yl)silyl]oxy-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;(1R,2R,3R,5S)-3-[di(propan-2-yl)silyloxymethyl]-2-[hydroxy-di(propan-2-yl)silyl]oxy-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;(1S,2R,3R,5S)-3-(hydroxymethyl)-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentane-1,2-diol;methanol;hydrochloride?
The InChIKey is XWCWDXBFDGESKL-KGHSDDGPSA-N. The full InChI is InChI=1S/2C33H53N3O6Si2.2C25H31N3O4.C21H25N3O5.C12H28Cl2OSi2.C10H18O5.CH4O.ClH/c2*1-21(2)43(22(3)4)41-18-26-15-27(31(37)32(26)42-44(38,23(5)6)24(7)8)28-16-36(20-40-17-25-13-11-10-12-14-25)30-29(28)34-19-35-33(30)39-9;2*1-5-17-11-18(23-22(17)31-25(2,3)32-23)19-12-28(15-30-13-16-9-7-6-8-10-16)21-20(19)26-14-27-24(21)29-4;1-28-21-18-17(22-11-23-21)16(15-7-14(9-25)19(26)20(15)27)8-24(18)12-29-10-13-5-3-2-4-6-13;1-9(2)16(13,10(3)4)15-17(14,11(5)6)12(7)8;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-2;/h2*10-14,16,19,21-24,26-27,31-32,37-38,43H,15,17-18,20H2,1-9H3;2*6-10,12,14,17-18,22-23H,5,11,13,15H2,1-4H3;2-6,8,11,14-15,19-20,25-27H,7,9-10,12H2,1H3;9-12H,1-8H3;1-6H3;2H,1H3;1H/t26-,27+,31+,32-;26-,27+,31-,32-;2*17-,18-,22+,23-;14-,15+,19-,20+;;;;/m11001..../s1.
What are the key properties of bis(7-[(3aS,4S,6S,6aR)-6-ethyl-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine);tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;chloro-[chloro-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane;(1S,2R,3R,5S)-3-[di(propan-2-yl)silyloxymethyl]-2-[hydroxy-di(propan-2-yl)silyl]oxy-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;(1R,2R,3R,5S)-3-[di(propan-2-yl)silyloxymethyl]-2-[hydroxy-di(propan-2-yl)silyl]oxy-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;(1S,2R,3R,5S)-3-(hydroxymethyl)-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentane-1,2-diol;methanol;hydrochloride?
bis(7-[(3aS,4S,6S,6aR)-6-ethyl-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine);tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;chloro-[chloro-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane;(1S,2R,3R,5S)-3-[di(propan-2-yl)silyloxymethyl]-2-[hydroxy-di(propan-2-yl)silyl]oxy-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;(1R,2R,3R,5S)-3-[di(propan-2-yl)silyloxymethyl]-2-[hydroxy-di(propan-2-yl)silyl]oxy-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;(1S,2R,3R,5S)-3-(hydroxymethyl)-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentane-1,2-diol;methanol;hydrochloride has a molecular weight of 3164.66 g/mol, XLogP of 32.19, 57 rotatable bonds, 8 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for bis(7-[(3aS,4S,6S,6aR)-6-ethyl-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine);tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;chloro-[chloro-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane;(1S,2R,3R,5S)-3-[di(propan-2-yl)silyloxymethyl]-2-[hydroxy-di(propan-2-yl)silyl]oxy-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;(1R,2R,3R,5S)-3-[di(propan-2-yl)silyloxymethyl]-2-[hydroxy-di(propan-2-yl)silyl]oxy-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentan-1-ol;(1S,2R,3R,5S)-3-(hydroxymethyl)-5-[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclopentane-1,2-diol;methanol;hydrochloride is sourced from PubChem (CID 162028510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).