NNG
概要
| 表記: | 2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-6-O-phosphono-alpha-D-glucopyranose |
| 別名: | N-ACETYLPHOSPHONOAMIDATE-D-GLUCOSAMINE-6-PHOSPHATE 2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-6-O-phosphono-alpha-D-glucose; 2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-6-O-phosphono-D-glucose; 2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-6-O-phosphono-glucose |
| 組成式: | C7 H17 N O10 P2 |
| 電荷: | 0 |
| 化学式量: | 337.158 Da |
| 分子種別: | D-saccharide, alpha linking |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | 2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-6-O-phosphono-alpha-D-glucopyranose |
| OpenEye OEToolkits | 1.5.0 | methyl-N-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(phosphonooxymethyl)oxan-3-yl]phosphonamidic 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(O)(O)OCC1OC(O)C(NP(=O)(O)C)C(O)C1O |
| SMILES_CANONICAL | CACTVS | 3.341 | C[P@@](O)(=O)N[C@H]1[C@@H](O)O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.341 | C[P](O)(=O)N[CH]1[CH](O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[P@@](=O)(N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CP(=O)(NC1C(C(C(OC1O)COP(=O)(O)O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H17NO10P2/c1-19(12,13)8-4-6(10)5(9)3(18-7(4)11)2-17-20(14,15)16/h3-7,9-11H,2H2,1H3,(H2,8,12,13)(H2,14,15,16)/t3-,4-,5-,6-,7+/m1/s1 |
| InChIKey | InChI | 1.03 | YCTZDNRMKSWCHF-GKHCUFPYSA-N |
