C84H142I3O13PSi4 — CID 157452847
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]propanal;(3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2S,3Z,5S,6S,7S,8Z)-2-[tert-butyl(dimethyl)silyl]oxy-9-iodo-6-(methoxymethoxy)-5,7-dimethyldeca-3,8-dienyl]-3,5-dimethyloxan-2-one;iodo-[(Z,2R,3R,4S)-6-iodo-3-(methoxymethoxy)-2,4-dimethylhept-5-enyl]-triphenyl-λ5-phosphane (PubChem CID 157452847) has the molecular formula C84H142I3O13PSi4 and a molecular weight of 1884.08 g/mol. Its IUPAC name is (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]propanal;(3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2S,3Z,5S,6S,7S,8Z)-2-[tert-butyl(dimethyl)silyl]oxy-9-iodo-6-(methoxymethoxy)-5,7-dimethyldeca-3,8-dienyl]-3,5-dimethyloxan-2-one;iodo-[(Z,2R,3R,4S)-6-iodo-3-(methoxymethoxy)-2,4-dimethylhept-5-enyl]-triphenyl-λ5-phosphane.
| Compound Name | (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]propanal;(3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2S,3Z,5S,6S,7S,8Z)-2-[tert-butyl(dimethyl)silyl]oxy-9-iodo-6-(methoxymethoxy)-5,7-dimethyldeca-3,8-dienyl]-3,5-dimethyloxan-2-one;iodo-[(Z,2R,3R,4S)-6-iodo-3-(methoxymethoxy)-2,4-dimethylhept-5-enyl]-triphenyl-λ5-phosphane |
|---|---|
| PubChem CID | 157452847 |
| Molecular Formula | C84H142I3O13PSi4 |
| Molecular Weight | 1884.08 g/mol |
| Exact Mass | 1882.64 |
| IUPAC Name | (2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-oxooxan-2-yl]propanal;(3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2S,3Z,5S,6S,7S,8Z)-2-[tert-butyl(dimethyl)silyl]oxy-9-iodo-6-(methoxymethoxy)-5,7-dimethyldeca-3,8-dienyl]-3,5-dimethyloxan-2-one;iodo-[(Z,2R,3R,4S)-6-iodo-3-(methoxymethoxy)-2,4-dimethylhept-5-enyl]-triphenyl-λ5-phosphane |
| SMILES | COCO[C@@H]([C@@H](C)/C=C\[C@H](CC1OC(=O)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C)O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C(/C)I.COCO[C@H]([C@@H](C)/C=C(/C)I)[C@@H](C)CP(I)(c1ccccc1)(c1ccccc1)c1ccccc1.C[C@H]1C(=O)OC(C[C@H](C=O)O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H]1O[Si](C)(C)C(C)(C)C |
| InChI | InChI=1S/C33H63IO6Si2.C29H35I2O2P.C22H44O5Si2/c1-22(29(37-21-36-12)23(2)19-24(3)34)17-18-27(39-41(13,14)32(6,7)8)20-28-25(4)30(26(5)31(35)38-28)40-42(15,16)33(9,10)11;1-23(20-25(3)30)29(33-22-32-4)24(2)21-34(31,26-14-8-5-9-15-26,27-16-10-6-11-17-27)28-18-12-7-13-19-28;1-15-18(13-17(14-23)26-28(9,10)21(3,4)5)25-20(24)16(2)19(15)27-29(11,12)22(6,7)8/h17-19,22-23,25-30H,20-21H2,1-16H3;5-20,23-24,29H,21-22H2,1-4H3;14-19H,13H2,1-12H3/b18-17-,24-19-;25-20-;/t22-,23-,25-,26+,27+,28?,29-,30-;23-,24-,29+;15-,16+,17+,18?,19+/m000/s1 |
| InChIKey | BSZPIOUUFXXLCE-SJJJNPJCSA-N |
| XLogP | 22.53 |
| TPSA | 143.51 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 105 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1884.08 |
| LogP ≤ 5 | 22.53 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 13 |
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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