RAN
Summary
| Name: | PHOSPHORIC ACID MONO-[3,4,6-TRIHYDROXY-5-(1-HYDROXY-ETHYLAMINO)-TETRAHYDRO-PYRAN-2-YLMETHYL] ESTER |
| Formula: | C8 H18 N O9 P |
| Formal charge: | 0 |
| Formula weight: | 303.204 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-deoxy-2-{[(1R)-1-hydroxyethyl]amino}-6-O-phosphono-alpha-D-glucopyranose |
| OpenEye OEToolkits | 1.5.0 | [(2R,3S,4R,5R,6S)-3,4,6-trihydroxy-5-(1-hydroxyethylamino)oxan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)OCC1OC(O)C(NC(O)C)C(O)C1O |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H](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[CH](O)N[CH]1[CH](O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(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 | CC(NC1C(C(C(OC1O)COP(=O)(O)O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H18NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h3-13H,2H2,1H3,(H2,14,15,16)/t3?,4-,5-,6-,7-,8+/m1/s1 |
| InChIKey | InChI | 1.03 | IXJMOIFMGWFZBQ-NKWOADHPSA-N |
