S-[(6aR,8R,9aS)-8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] ethanethioate;S-[(2R,4S,5R)-2-(6-aminopurin-9-yl)-5-ethyl-4-hydroxyoxolan-3-yl] ethanethioate;(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-[tri(propan-2-yl)silyloxymethylsulfanyl]oxolan-3-ol;S-[(2R,4S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] ethanethioate;N-benzoyl-N-[9-[(2R,4S,5R)-5-ethyl-4-trimethylsilyloxy-3-[tri(propan-2-yl)silyloxymethylsulfanyl]oxolan-2-yl]purin-6-yl]benzamide;1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;fluoromethane;methanamine;methane;oxolane

C136H202ClFN26O23S5Si5 — CID 167630664

IUPACS-[(6aR,8R,9aS)-8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] ethanethioate;S-[(2R,4S,5R)-2-(6-aminopurin-9-yl)-5-ethyl-4-hydroxyoxolan-3-yl] ethanethioate;(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-[tri(propan-2-yl)silyloxymethylsulfanyl]oxolan-3-ol;S-[(2R,4S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] ethanethioate;N-benzoyl-N-[9-[(2R,4S,5R)-5-ethyl-4-trimethylsilyloxy-3-[tri(propan-2-yl)silyloxymethylsulfanyl]oxolan-2-yl]purin-6-yl]benzamide;1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;fluoromethane;methanamine;methane;oxolane
SMILESC.C1CCOC1.CC(=O)SC1[C@@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc21.CC(=O)SC1[C@H]2O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@H]2O[C@H]1n1cnc2c(N)ncnc21.CC[C@H]1O[C@@H](n2cnc3c(N(C(=O)c4ccccc4)C(=O)c4ccccc4)ncnc32)C(SCO[Si](C(C)C)(C(C)C)C(C)C)[C@H]1O[Si](C)(C)C.CC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C(SC(C)=O)[C@H]1O.CC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C(SCO[Si](C(C)C)(C(C)C)C(C)C)[C@H]1O.CF.CN.COc1ccc(C(Cl)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C38H53N5O5SSi2.C24H41N5O5SSi2.C21H19ClO2.C21H37N5O3SSi.C13H17N5O3S.C12H15N5O4S.C4H8O.CH3F.CH5N.CH4/c1-11-30-32(48-50(8,9)10)33(49-24-46-51(25(2)3,26(4)5)27(6)7)38(47-30)42-23-41-31-34(42)39-22-40-35(31)43(36(44)28-18-14-12-15-19-28)37(45)29-20-16-13-17-21-29;1-13(2)36(14(3)4)31-10-18-20(33-37(34-36,15(5)6)16(7)8)21(35-17(9)30)24(32-18)29-12-28-19-22(25)26-11-27-23(19)29;1-23-19-12-8-17(9-13-19)21(22,16-6-4-3-5-7-16)18-10-14-20(24-2)15-11-18;1-8-15-17(27)18(30-11-28-31(12(2)3,13(4)5)14(6)7)21(29-15)26-10-25-16-19(22)23-9-24-20(16)26;1-3-7-9(20)10(22-6(2)19)13(21-7)18-5-17-8-11(14)15-4-16-12(8)18;1-5(19)22-9-8(20)6(2-18)21-12(9)17-4-16-7-10(13)14-3-15-11(7)17;1-2-4-5-3-1;2*1-2;/h12-23,25-27,30,32-33,38H,11,24H2,1-10H3;11-16,18,20-21,24H,10H2,1-9H3,(H2,25,26,27);3-15H,1-2H3;9-10,12-15,17-18,21,27H,8,11H2,1-7H3,(H2,22,23,24);4-5,7,9-10,13,20H,3H2,1-2H3,(H2,14,15,16);3-4,6,8-9,12,18,20H,2H2,1H3,(H2,13,14,15);1-4H2;1H3;2H2,1H3;1H4/t30-,32+,33?,38-;18-,20+,21?,24-;;15-,17+,18?,21-;7-,9+,10?,13-;6-,8+,9?,12-;;;;/m11.111..../s1
InChIKeyNTBVUMBRUUWQFL-YRXYXTFCSA-N
MW2924.49 g/mol
LogP25.19
Rot. Bonds40

About S-[(6aR,8R,9aS)-8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] ethanethioate;S-[(2R,4S,5R)-2-(6-aminopurin-9-yl)-5-ethyl-4-hydroxyoxolan-3-yl] ethanethioate;(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-[tri(propan-2-yl)silyloxymethylsulfanyl]oxolan-3-ol;S-[(2R,4S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] ethanethioate;N-benzoyl-N-[9-[(2R,4S,5R)-5-ethyl-4-trimethylsilyloxy-3-[tri(propan-2-yl)silyloxymethylsulfanyl]oxolan-2-yl]purin-6-yl]benzamide;1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;fluoromethane;methanamine;methane;oxolane

S-[(6aR,8R,9aS)-8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] ethanethioate;S-[(2R,4S,5R)-2-(6-aminopurin-9-yl)-5-ethyl-4-hydroxyoxolan-3-yl] ethanethioate;(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-[tri(propan-2-yl)silyloxymethylsulfanyl]oxolan-3-ol;S-[(2R,4S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] ethanethioate;N-benzoyl-N-[9-[(2R,4S,5R)-5-ethyl-4-trimethylsilyloxy-3-[tri(propan-2-yl)silyloxymethylsulfanyl]oxolan-2-yl]purin-6-yl]benzamide;1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;fluoromethane;methanamine;methane;oxolane (PubChem CID 167630664) has the molecular formula C136H202ClFN26O23S5Si5 and a molecular weight of 2924.49 g/mol. Its IUPAC name is S-[(6aR,8R,9aS)-8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] ethanethioate;S-[(2R,4S,5R)-2-(6-aminopurin-9-yl)-5-ethyl-4-hydroxyoxolan-3-yl] ethanethioate;(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-[tri(propan-2-yl)silyloxymethylsulfanyl]oxolan-3-ol;S-[(2R,4S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] ethanethioate;N-benzoyl-N-[9-[(2R,4S,5R)-5-ethyl-4-trimethylsilyloxy-3-[tri(propan-2-yl)silyloxymethylsulfanyl]oxolan-2-yl]purin-6-yl]benzamide;1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;fluoromethane;methanamine;methane;oxolane.

Molecular Properties

Compound NameS-[(6aR,8R,9aS)-8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] ethanethioate;S-[(2R,4S,5R)-2-(6-aminopurin-9-yl)-5-ethyl-4-hydroxyoxolan-3-yl] ethanethioate;(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-[tri(propan-2-yl)silyloxymethylsulfanyl]oxolan-3-ol;S-[(2R,4S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] ethanethioate;N-benzoyl-N-[9-[(2R,4S,5R)-5-ethyl-4-trimethylsilyloxy-3-[tri(propan-2-yl)silyloxymethylsulfanyl]oxolan-2-yl]purin-6-yl]benzamide;1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;fluoromethane;methanamine;methane;oxolane
PubChem CID167630664
Molecular FormulaC136H202ClFN26O23S5Si5
Molecular Weight2924.49 g/mol
Exact Mass2921.26
IUPAC NameS-[(6aR,8R,9aS)-8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] ethanethioate;S-[(2R,4S,5R)-2-(6-aminopurin-9-yl)-5-ethyl-4-hydroxyoxolan-3-yl] ethanethioate;(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-[tri(propan-2-yl)silyloxymethylsulfanyl]oxolan-3-ol;S-[(2R,4S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] ethanethioate;N-benzoyl-N-[9-[(2R,4S,5R)-5-ethyl-4-trimethylsilyloxy-3-[tri(propan-2-yl)silyloxymethylsulfanyl]oxolan-2-yl]purin-6-yl]benzamide;1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;fluoromethane;methanamine;methane;oxolane
SMILESC.C1CCOC1.CC(=O)SC1[C@@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc21.CC(=O)SC1[C@H]2O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@H]2O[C@H]1n1cnc2c(N)ncnc21.CC[C@H]1O[C@@H](n2cnc3c(N(C(=O)c4ccccc4)C(=O)c4ccccc4)ncnc32)C(SCO[Si](C(C)C)(C(C)C)C(C)C)[C@H]1O[Si](C)(C)C.CC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C(SC(C)=O)[C@H]1O.CC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C(SCO[Si](C(C)C)(C(C)C)C(C)C)[C@H]1O.CF.CN.COc1ccc(C(Cl)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C38H53N5O5SSi2.C24H41N5O5SSi2.C21H19ClO2.C21H37N5O3SSi.C13H17N5O3S.C12H15N5O4S.C4H8O.CH3F.CH5N.CH4/c1-11-30-32(48-50(8,9)10)33(49-24-46-51(25(2)3,26(4)5)27(6)7)38(47-30)42-23-41-31-34(42)39-22-40-35(31)43(36(44)28-18-14-12-15-19-28)37(45)29-20-16-13-17-21-29;1-13(2)36(14(3)4)31-10-18-20(33-37(34-36,15(5)6)16(7)8)21(35-17(9)30)24(32-18)29-12-28-19-22(25)26-11-27-23(19)29;1-23-19-12-8-17(9-13-19)21(22,16-6-4-3-5-7-16)18-10-14-20(24-2)15-11-18;1-8-15-17(27)18(30-11-28-31(12(2)3,13(4)5)14(6)7)21(29-15)26-10-25-16-19(22)23-9-24-20(16)26;1-3-7-9(20)10(22-6(2)19)13(21-7)18-5-17-8-11(14)15-4-16-12(8)18;1-5(19)22-9-8(20)6(2-18)21-12(9)17-4-16-7-10(13)14-3-15-11(7)17;1-2-4-5-3-1;2*1-2;/h12-23,25-27,30,32-33,38H,11,24H2,1-10H3;11-16,18,20-21,24H,10H2,1-9H3,(H2,25,26,27);3-15H,1-2H3;9-10,12-15,17-18,21,27H,8,11H2,1-7H3,(H2,22,23,24);4-5,7,9-10,13,20H,3H2,1-2H3,(H2,14,15,16);3-4,6,8-9,12,18,20H,2H2,1H3,(H2,13,14,15);1-4H2;1H3;2H2,1H3;1H4/t30-,32+,33?,38-;18-,20+,21?,24-;;15-,17+,18?,21-;7-,9+,10?,13-;6-,8+,9?,12-;;;;/m11.111..../s1
InChIKeyNTBVUMBRUUWQFL-YRXYXTFCSA-N
XLogP25.19
TPSA646.83 Ų
H-Bond Donors9
H-Bond Acceptors53
Rotatable Bonds40
Heavy Atoms197
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002924.49
LogP ≤ 525.19
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1053

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze S-[(6aR,8R,9aS)-8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] ethanethioate;S-[(2R,4S,5R)-2-(6-aminopurin-9-yl)-5-ethyl-4-hydroxyoxolan-3-yl] ethanethioate;(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-[tri(propan-2-yl)silyloxymethylsulfanyl]oxolan-3-ol;S-[(2R,4S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] ethanethioate;N-benzoyl-N-[9-[(2R,4S,5R)-5-ethyl-4-trimethylsilyloxy-3-[tri(propan-2-yl)silyloxymethylsulfanyl]oxolan-2-yl]purin-6-yl]benzamide;1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;fluoromethane;methanamine;methane;oxolane with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of S-[(6aR,8R,9aS)-8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] ethanethioate;S-[(2R,4S,5R)-2-(6-aminopurin-9-yl)-5-ethyl-4-hydroxyoxolan-3-yl] ethanethioate;(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-[tri(propan-2-yl)silyloxymethylsulfanyl]oxolan-3-ol;S-[(2R,4S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] ethanethioate;N-benzoyl-N-[9-[(2R,4S,5R)-5-ethyl-4-trimethylsilyloxy-3-[tri(propan-2-yl)silyloxymethylsulfanyl]oxolan-2-yl]purin-6-yl]benzamide;1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;fluoromethane;methanamine;methane;oxolane?
The IUPAC name of S-[(6aR,8R,9aS)-8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] ethanethioate;S-[(2R,4S,5R)-2-(6-aminopurin-9-yl)-5-ethyl-4-hydroxyoxolan-3-yl] ethanethioate;(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-[tri(propan-2-yl)silyloxymethylsulfanyl]oxolan-3-ol;S-[(2R,4S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] ethanethioate;N-benzoyl-N-[9-[(2R,4S,5R)-5-ethyl-4-trimethylsilyloxy-3-[tri(propan-2-yl)silyloxymethylsulfanyl]oxolan-2-yl]purin-6-yl]benzamide;1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;fluoromethane;methanamine;methane;oxolane (CID 167630664) is S-[(6aR,8R,9aS)-8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] ethanethioate;S-[(2R,4S,5R)-2-(6-aminopurin-9-yl)-5-ethyl-4-hydroxyoxolan-3-yl] ethanethioate;(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-[tri(propan-2-yl)silyloxymethylsulfanyl]oxolan-3-ol;S-[(2R,4S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] ethanethioate;N-benzoyl-N-[9-[(2R,4S,5R)-5-ethyl-4-trimethylsilyloxy-3-[tri(propan-2-yl)silyloxymethylsulfanyl]oxolan-2-yl]purin-6-yl]benzamide;1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;fluoromethane;methanamine;methane;oxolane.
What is the SMILES notation for S-[(6aR,8R,9aS)-8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] ethanethioate;S-[(2R,4S,5R)-2-(6-aminopurin-9-yl)-5-ethyl-4-hydroxyoxolan-3-yl] ethanethioate;(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-[tri(propan-2-yl)silyloxymethylsulfanyl]oxolan-3-ol;S-[(2R,4S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] ethanethioate;N-benzoyl-N-[9-[(2R,4S,5R)-5-ethyl-4-trimethylsilyloxy-3-[tri(propan-2-yl)silyloxymethylsulfanyl]oxolan-2-yl]purin-6-yl]benzamide;1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;fluoromethane;methanamine;methane;oxolane?
The canonical SMILES for S-[(6aR,8R,9aS)-8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] ethanethioate;S-[(2R,4S,5R)-2-(6-aminopurin-9-yl)-5-ethyl-4-hydroxyoxolan-3-yl] ethanethioate;(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-[tri(propan-2-yl)silyloxymethylsulfanyl]oxolan-3-ol;S-[(2R,4S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] ethanethioate;N-benzoyl-N-[9-[(2R,4S,5R)-5-ethyl-4-trimethylsilyloxy-3-[tri(propan-2-yl)silyloxymethylsulfanyl]oxolan-2-yl]purin-6-yl]benzamide;1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;fluoromethane;methanamine;methane;oxolane is C.C1CCOC1.CC(=O)SC1[C@@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc21.CC(=O)SC1[C@H]2O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@H]2O[C@H]1n1cnc2c(N)ncnc21.CC[C@H]1O[C@@H](n2cnc3c(N(C(=O)c4ccccc4)C(=O)c4ccccc4)ncnc32)C(SCO[Si](C(C)C)(C(C)C)C(C)C)[C@H]1O[Si](C)(C)C.CC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C(SC(C)=O)[C@H]1O.CC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C(SCO[Si](C(C)C)(C(C)C)C(C)C)[C@H]1O.CF.CN.COc1ccc(C(Cl)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of S-[(6aR,8R,9aS)-8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] ethanethioate;S-[(2R,4S,5R)-2-(6-aminopurin-9-yl)-5-ethyl-4-hydroxyoxolan-3-yl] ethanethioate;(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-[tri(propan-2-yl)silyloxymethylsulfanyl]oxolan-3-ol;S-[(2R,4S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] ethanethioate;N-benzoyl-N-[9-[(2R,4S,5R)-5-ethyl-4-trimethylsilyloxy-3-[tri(propan-2-yl)silyloxymethylsulfanyl]oxolan-2-yl]purin-6-yl]benzamide;1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;fluoromethane;methanamine;methane;oxolane?
The InChIKey is NTBVUMBRUUWQFL-YRXYXTFCSA-N. The full InChI is InChI=1S/C38H53N5O5SSi2.C24H41N5O5SSi2.C21H19ClO2.C21H37N5O3SSi.C13H17N5O3S.C12H15N5O4S.C4H8O.CH3F.CH5N.CH4/c1-11-30-32(48-50(8,9)10)33(49-24-46-51(25(2)3,26(4)5)27(6)7)38(47-30)42-23-41-31-34(42)39-22-40-35(31)43(36(44)28-18-14-12-15-19-28)37(45)29-20-16-13-17-21-29;1-13(2)36(14(3)4)31-10-18-20(33-37(34-36,15(5)6)16(7)8)21(35-17(9)30)24(32-18)29-12-28-19-22(25)26-11-27-23(19)29;1-23-19-12-8-17(9-13-19)21(22,16-6-4-3-5-7-16)18-10-14-20(24-2)15-11-18;1-8-15-17(27)18(30-11-28-31(12(2)3,13(4)5)14(6)7)21(29-15)26-10-25-16-19(22)23-9-24-20(16)26;1-3-7-9(20)10(22-6(2)19)13(21-7)18-5-17-8-11(14)15-4-16-12(8)18;1-5(19)22-9-8(20)6(2-18)21-12(9)17-4-16-7-10(13)14-3-15-11(7)17;1-2-4-5-3-1;2*1-2;/h12-23,25-27,30,32-33,38H,11,24H2,1-10H3;11-16,18,20-21,24H,10H2,1-9H3,(H2,25,26,27);3-15H,1-2H3;9-10,12-15,17-18,21,27H,8,11H2,1-7H3,(H2,22,23,24);4-5,7,9-10,13,20H,3H2,1-2H3,(H2,14,15,16);3-4,6,8-9,12,18,20H,2H2,1H3,(H2,13,14,15);1-4H2;1H3;2H2,1H3;1H4/t30-,32+,33?,38-;18-,20+,21?,24-;;15-,17+,18?,21-;7-,9+,10?,13-;6-,8+,9?,12-;;;;/m11.111..../s1.
What are the key properties of S-[(6aR,8R,9aS)-8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] ethanethioate;S-[(2R,4S,5R)-2-(6-aminopurin-9-yl)-5-ethyl-4-hydroxyoxolan-3-yl] ethanethioate;(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-[tri(propan-2-yl)silyloxymethylsulfanyl]oxolan-3-ol;S-[(2R,4S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] ethanethioate;N-benzoyl-N-[9-[(2R,4S,5R)-5-ethyl-4-trimethylsilyloxy-3-[tri(propan-2-yl)silyloxymethylsulfanyl]oxolan-2-yl]purin-6-yl]benzamide;1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;fluoromethane;methanamine;methane;oxolane?
S-[(6aR,8R,9aS)-8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] ethanethioate;S-[(2R,4S,5R)-2-(6-aminopurin-9-yl)-5-ethyl-4-hydroxyoxolan-3-yl] ethanethioate;(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-[tri(propan-2-yl)silyloxymethylsulfanyl]oxolan-3-ol;S-[(2R,4S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] ethanethioate;N-benzoyl-N-[9-[(2R,4S,5R)-5-ethyl-4-trimethylsilyloxy-3-[tri(propan-2-yl)silyloxymethylsulfanyl]oxolan-2-yl]purin-6-yl]benzamide;1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;fluoromethane;methanamine;methane;oxolane has a molecular weight of 2924.49 g/mol, XLogP of 25.19, 40 rotatable bonds, 9 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for S-[(6aR,8R,9aS)-8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] ethanethioate;S-[(2R,4S,5R)-2-(6-aminopurin-9-yl)-5-ethyl-4-hydroxyoxolan-3-yl] ethanethioate;(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-[tri(propan-2-yl)silyloxymethylsulfanyl]oxolan-3-ol;S-[(2R,4S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] ethanethioate;N-benzoyl-N-[9-[(2R,4S,5R)-5-ethyl-4-trimethylsilyloxy-3-[tri(propan-2-yl)silyloxymethylsulfanyl]oxolan-2-yl]purin-6-yl]benzamide;1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;fluoromethane;methanamine;methane;oxolane is sourced from PubChem (CID 167630664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).