C113H142O38Si3 — CID 158456786
benzyl (2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoate;benzyl (2S)-2-hydroxypropanoate;(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid;(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid (PubChem CID 158456786) has the molecular formula C113H142O38Si3 and a molecular weight of 2192.60 g/mol. Its IUPAC name is benzyl (2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoate;benzyl (2S)-2-hydroxypropanoate;(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid;(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid.
| Compound Name | benzyl (2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoate;benzyl (2S)-2-hydroxypropanoate;(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid;(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid |
|---|---|
| PubChem CID | 158456786 |
| Molecular Formula | C113H142O38Si3 |
| Molecular Weight | 2192.60 g/mol |
| Exact Mass | 2190.85 |
| IUPAC Name | benzyl (2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoate;benzyl (2S)-2-hydroxypropanoate;(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid;(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid |
| SMILES | C[C@H](O)C(=O)OCc1ccccc1.C[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O.C[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O.C[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)OCc1ccccc1 |
| InChI | InChI=1S/C41H50O13Si.C34H44O13Si.C28H36O9Si.C10H12O3/c1-26(35(42)48-25-32-19-13-10-14-20-32)49-36(43)27(2)50-37(44)28(3)51-38(45)29(4)52-39(46)30(5)53-40(47)31(6)54-55(41(7,8)9,33-21-15-11-16-22-33)34-23-17-12-18-24-34;1-20(28(35)36)42-29(37)21(2)43-30(38)22(3)44-31(39)23(4)45-32(40)24(5)46-33(41)25(6)47-48(34(7,8)9,26-16-12-10-13-17-26)27-18-14-11-15-19-27;1-18(24(29)30)34-25(31)19(2)35-26(32)20(3)36-27(33)21(4)37-38(28(5,6)7,22-14-10-8-11-15-22)23-16-12-9-13-17-23;1-8(11)10(12)13-7-9-5-3-2-4-6-9/h10-24,26-31H,25H2,1-9H3;10-25H,1-9H3,(H,35,36);8-21H,1-7H3,(H,29,30);2-6,8,11H,7H2,1H3/t26-,27-,28-,29-,30-,31+;20-,21-,22-,23-,24-,25+;18-,19-,20-,21+;8-/m1110/s1 |
| InChIKey | HEQZVRUCEVJCRS-BNJCZFDTSA-N |
| XLogP | 10.99 |
| TPSA | 517.02 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 46 |
| Heavy Atoms | 154 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2192.60 |
| LogP ≤ 5 | 10.99 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 36 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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