C129H149Ag2Br2N4O32 — CID 161050943
silver;bromomethylbenzene;3-bromo-2-methyl-6-phenylmethoxypyridine;(3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-one;5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyridin-2-one;(3S,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-one;3-[(2S,3R,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-methyl-6-phenylmethoxypyridine;(2S,3S,5R)-5-ethyl-2-(2-methyl-6-phenylmethoxy-3-pyridinyl)-3,4-bis(phenylmethoxy)oxolan-2-ol;hydroperoxymethanone;(3S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;methane;silver (PubChem CID 161050943) has the molecular formula C129H149Ag2Br2N4O32 and a molecular weight of 2643.15 g/mol. Its IUPAC name is silver;bromomethylbenzene;3-bromo-2-methyl-6-phenylmethoxypyridine;(3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-one;5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyridin-2-one;(3S,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-one;3-[(2S,3R,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-methyl-6-phenylmethoxypyridine;(2S,3S,5R)-5-ethyl-2-(2-methyl-6-phenylmethoxy-3-pyridinyl)-3,4-bis(phenylmethoxy)oxolan-2-ol;hydroperoxymethanone;(3S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;methane;silver.
| Compound Name | silver;bromomethylbenzene;3-bromo-2-methyl-6-phenylmethoxypyridine;(3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-one;5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyridin-2-one;(3S,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-one;3-[(2S,3R,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-methyl-6-phenylmethoxypyridine;(2S,3S,5R)-5-ethyl-2-(2-methyl-6-phenylmethoxy-3-pyridinyl)-3,4-bis(phenylmethoxy)oxolan-2-ol;hydroperoxymethanone;(3S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;methane;silver |
|---|---|
| PubChem CID | 161050943 |
| Molecular Formula | C129H149Ag2Br2N4O32 |
| Molecular Weight | 2643.15 g/mol |
| Exact Mass | 2637.66 |
| IUPAC Name | silver;bromomethylbenzene;3-bromo-2-methyl-6-phenylmethoxypyridine;(3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-one;5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyridin-2-one;(3S,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-one;3-[(2S,3R,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-methyl-6-phenylmethoxypyridine;(2S,3S,5R)-5-ethyl-2-(2-methyl-6-phenylmethoxy-3-pyridinyl)-3,4-bis(phenylmethoxy)oxolan-2-ol;hydroperoxymethanone;(3S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;methane;silver |
| SMILES | BrCc1ccccc1.C.CC[C@H]1OC(=O)[C@@H](OCc2ccccc2)C1OCc1ccccc1.CC[C@H]1O[C@@H](c2ccc(OCc3ccccc3)nc2C)[C@@H](OCc2ccccc2)C1OCc1ccccc1.CC[C@H]1O[C@@](O)(c2ccc(OCc3ccccc3)nc2C)[C@@H](OCc2ccccc2)C1OCc1ccccc1.Cc1[nH]c(=O)ccc1[C@@H]1O[C@H](CO)C(O)[C@@H]1O.Cc1nc(OCc2ccccc2)ccc1Br.O=C1O[C@H](CO)C(O)[C@@H]1O.O=[C-]OO.OC[C@H]1OC(O)[C@@H](O)C1O.[Ag+].[Ag] |
| InChI | InChI=1S/C33H35NO5.C33H35NO4.C20H22O4.C13H12BrNO.C11H15NO5.C7H7Br.C5H10O5.C5H8O5.CHO3.CH4.2Ag/c1-3-29-31(37-22-26-15-9-5-10-16-26)32(38-23-27-17-11-6-12-18-27)33(35,39-29)28-19-20-30(34-24(28)2)36-21-25-13-7-4-8-14-25;1-3-29-32(36-22-26-15-9-5-10-16-26)33(37-23-27-17-11-6-12-18-27)31(38-29)28-19-20-30(34-24(28)2)35-21-25-13-7-4-8-14-25;1-2-17-18(22-13-15-9-5-3-6-10-15)19(20(21)24-17)23-14-16-11-7-4-8-12-16;1-10-12(14)7-8-13(15-10)16-9-11-5-3-2-4-6-11;1-5-6(2-3-8(14)12-5)11-10(16)9(15)7(4-13)17-11;8-6-7-4-2-1-3-5-7;2*6-1-2-3(7)4(8)5(9)10-2;2-1-4-3;;;/h4-20,29,31-32,35H,3,21-23H2,1-2H3;4-20,29,31-33H,3,21-23H2,1-2H3;3-12,17-19H,2,13-14H2,1H3;2-8H,9H2,1H3;2-3,7,9-11,13,15-16H,4H2,1H3,(H,12,14);1-5H,6H2;2-9H,1H2;2-4,6-8H,1H2;3H;1H4;;/q;;;;;;;;-1;;;+1/t29-,31?,32+,33+;29-,31+,32?,33-;17-,18?,19+;;7-,9?,10+,11+;;2-,3?,4+,5?;2-,3?,4+;;;;/m111.1.11..../s1 |
| InChIKey | IWOAIRTUJZPJND-YTKZTXSGSA-N |
| XLogP | 16.94 |
| TPSA | 513.18 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 169 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2643.15 |
| LogP ≤ 5 | 16.94 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 35 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'} |
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