EIX
概要
| 表記: | [(2R,3S,5S)-5-[(4R,5R)-6-azanyl-5-fluoranyl-5-methyl-2-oxidanylidene-4-sulfanyl-4H-pyrimidin-3-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
| 組成式: | C10 H17 F N3 O7 P S |
| 電荷: | 0 |
| 化学式量: | 373.295 Da |
| 分子種別: | DNA linking |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 2.0.7 | [(2~{R},3~{S},5~{S})-5-[(4~{R},5~{R})-6-azanyl-5-fluoranyl-5-methyl-2-oxidanylidene-4-sulfanyl-4~{H}-pyrimidin-3-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen 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 |
| InChI | InChI | 1.03 | InChI=1S/C10H17FN3O7PS/c1-10(11)7(12)13-9(16)14(8(10)23)6-2-4(15)5(21-6)3-20-22(17,18)19/h4-6,8,15,23H,2-3H2,1H3,(H2,12,13,16)(H2,17,18,19)/t4-,5+,6-,8+,10+/m0/s1 |
| InChIKey | InChI | 1.03 | WAORVXYEMGHEBO-ULKLUNNDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@]1(F)[C@@H](S)N([C@@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2)C(=O)N=C1N |
| SMILES | CACTVS | 3.385 | C[C]1(F)[CH](S)N([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)N=C1N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@]1([C@H](N(C(=O)N=C1N)[C@@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)S)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(C(N(C(=O)N=C1N)C2CC(C(O2)COP(=O)(O)O)O)S)F |
