| Properties | Image |
|---|
| MNX_ID | MNXM1178351 |
 |
| reference | envipathM:...947eabd6edc3 |
| formula | C12H21N2O6P |
| global charge | 0 |
| mol weight | 320.282 |
| InChIKey | FOPGWTUWWPEEGK-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H21N2O6P/c1-5-18-21(17,19-7-6-15)20-10-8-9(2)13-11(14-10)12(3,4)16/h8,15-16H,5-7H2,1-4H3 |
| SMILES | CCOP(=O)(OCCO)OC1=CC(C)=NC(C(C)(C)O)=N1 |
MNX internals
| InChI (mnx) | InChI=1/C12H21N2O6P/c1-5-18-21(17,19-7-6-15)20-10-8-9(2)13-11(14-10)12(3,4)16/h8,15-16H,5-7H2,1-4H3/t21? |
 |
| SMILES (mnx) | [CH3:1][CH2:5][O:18][P:21](=[O:17])([O:19][CH2:7][CH2:6][OH:15])[O:20][C:10]1=[N:14][C:11]([C:12]([CH3:3])([CH3:4])[OH:16])=[N:13][C:9]([CH3:2])=[CH:8]1 |
|