4R1
Summary
| Name: | 2-amino-2-deoxy-6-O-phosphono-beta-D-glucopyranose |
| Synonyms: | beta-glucosamine-6-phosphate 6-O-phosphono-beta-D-glucosamine; 2-amino-2-deoxy-6-O-phosphono-beta-D-glucose; 2-amino-2-deoxy-6-O-phosphono-D-glucose; 2-amino-2-deoxy-6-O-phosphono-glucose |
| Formula: | C6 H14 N O8 P |
| Formal charge: | 0 |
| Formula weight: | 259.151 Da |
| Component type: | D-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-amino-2-deoxy-6-O-phosphono-beta-D-glucopyranose |
| OpenEye OEToolkits | 1.9.2 | [(2R,3S,4R,5R,6R)-5-azanyl-3,4,6-tris(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate |
| PDB-CARE | 1.0 | b-D-GlcpN6PO3 |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1(C(C(O)C(COP(O)(O)=O)OC1O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6-/m1/s1 |
| InChIKey | InChI | 1.03 | XHMJOUIAFHJHBW-QZABAPFNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H]1[C@H](O)O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | N[CH]1[CH](O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | C(C1C(C(C(C(O1)O)N)O)O)OP(=O)(O)O |
