51N
概要
| 表記: | 5-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-1-O-phosphono-alpha-D-ribofuranose |
| 別名: | 1'-ALPHA-PHOSPHORIBOSYL-5'-PYROPHOSPHORIC ACID 5-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-1-O-phosphono-alpha-D-ribose; 5-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-1-O-phosphono-D-ribose; 5-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-1-O-phosphono-ribose |
| 組成式: | C5 H13 O14 P3 |
| 電荷: | 0 |
| 化学式量: | 390.07 Da |
| 分子種別: | D-saccharide |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | 5-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-1-O-phosphono-alpha-D-ribofuranose |
| OpenEye OEToolkits | 1.9.2 | [(2R,3S,4R,5R)-3,4-bis(oxidanyl)-5-phosphonooxy-oxolan-2-yl]methyl phosphono hydrogen phosphate |
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 | 12.01 | C1(OP(O)(O)=O)OC(C(C1O)O)COP(OP(O)(O)=O)(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H13O14P3/c6-3-2(1-16-22(14,15)19-21(11,12)13)17-5(4(3)7)18-20(8,9)10/h2-7H,1H2,(H,14,15)(H2,8,9,10)(H2,11,12,13)/t2-,3-,4-,5-/m1/s1 |
| InChIKey | InChI | 1.03 | FPVTZUUYHCKWRL-TXICZTDVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1[C@@H](O)[C@H](O[C@@H]1CO[P](O)(=O)O[P](O)(O)=O)O[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(O)=O)O[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)OP(=O)(O)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | C(C1C(C(C(O1)OP(=O)(O)O)O)O)OP(=O)(O)OP(=O)(O)O |
