80Y
Summary
| Name: | 2-azanylethyl [(2R,3S,4S,5S,6S)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl hydrogen phosphate |
| Formula: | C8 H18 N O9 P |
| Formal charge: | 0 |
| Formula weight: | 303.204 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-azanylethyl [(2~{R},3~{S},4~{S},5~{S},6~{S})-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H18NO9P/c9-1-2-16-19(14,15)17-3-4-5(10)6(11)7(12)8(13)18-4/h4-8,10-13H,1-3,9H2,(H,14,15)/t4-,5-,6+,7+,8+/m1/s1 |
| InChIKey | InChI | 1.06 | MMKGFVVPDOLYRA-HEIBUPTGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCO[P](O)(=O)OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | NCCO[P](O)(=O)OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C(COP(=O)(O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(COP(=O)(O)OCC1C(C(C(C(O1)O)O)O)O)N |
