SIL
概要
| 表記: | [(4S)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL]METHYL HYDROGEN HEX-5-ENYLPHOSPHONATE |
| 別名: | O-[(S)-1,2-O-ISOPROPYLIDENE-SN-GLYCEROL]6-HEXENYL PHOSPHONATE O-[(S)-IPG] 6-HEXENYL PHOSPHONATE |
| 組成式: | C12 H23 O5 P |
| 電荷: | 0 |
| 化学式量: | 278.282 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | [(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl hydrogen (R)-hex-5-en-1-ylphosphonate |
| OpenEye OEToolkits | 1.5.0 | [(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-hex-5-enyl-phosphinic acid |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=P(OCC1OC(OC1)(C)C)(O)CCCC\C=C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC1(C)OC[C@H](CO[P@@](O)(=O)CCCCC=C)O1 |
| SMILES | CACTVS | 3.341 | CC1(C)OC[CH](CO[P](O)(=O)CCCCC=C)O1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1(OC[C@@H](O1)CO[P@](=O)(CCCCC=C)O)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1(OCC(O1)COP(=O)(CCCCC=C)O)C |
| InChI | InChI | 1.03 | InChI=1S/C12H23O5P/c1-4-5-6-7-8-18(13,14)16-10-11-9-15-12(2,3)17-11/h4,11H,1,5-10H2,2-3H3,(H,13,14)/t11-/m1/s1 |
| InChIKey | InChI | 1.03 | BUTLRPVAJSANIT-LLVKDONJSA-N |
