MAT
概要
| 表記: | 2,4-dideoxy-3-O-methyl-4-(propan-2-ylamino)-alpha-L-threo-pentopyranose |
| 別名: | 2,4-DIDEOXY-4-[2-(PROPYL)AMINO]-3-O-METHYL ALPHA-L-THREO-PENTOPYRANOSIDE 2,4-dideoxy-3-O-methyl-4-(propan-2-ylamino)-alpha-L-threo-pentose; 2,4-dideoxy-3-O-methyl-4-(propan-2-ylamino)-L-threo-pentose; 2,4-dideoxy-3-O-methyl-4-(propan-2-ylamino)-threo-pentose |
| 組成式: | C9 H19 N O3 |
| 電荷: | 0 |
| 化学式量: | 189.252 Da |
| 分子種別: | L-saccharide, alpha linking |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 11.02 | 2,4-dideoxy-3-O-methyl-4-(propan-2-ylamino)-alpha-L-threo-pentopyranose |
| OpenEye OEToolkits | 1.6.1 | (2R,4S,5S)-4-methoxy-5-(propan-2-ylamino)oxan-2-ol |
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 | 11.02 | O(C)C1C(NC(C)C)COC(O)C1 |
| SMILES_CANONICAL | CACTVS | 3.352 | CO[C@H]1C[C@H](O)OC[C@@H]1NC(C)C |
| SMILES | CACTVS | 3.352 | CO[CH]1C[CH](O)OC[CH]1NC(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)N[C@H]1CO[C@H](C[C@@H]1OC)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)NC1COC(CC1OC)O |
| InChI | InChI | 1.03 | InChI=1S/C9H19NO3/c1-6(2)10-7-5-13-9(11)4-8(7)12-3/h6-11H,4-5H2,1-3H3/t7-,8-,9+/m0/s1 |
| InChIKey | InChI | 1.03 | GSIBYRWDWAKORN-XHNCKOQMSA-N |
