XB9
Summary
| Name: | N-carbamoyl-2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosylamine |
| Formula: | C6 H13 N2 O7 P |
| Formal charge: | 0 |
| Formula weight: | 256.15 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-carbamoyl-2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosylamine |
| OpenEye OEToolkits | 2.0.7 | [(2~{R},3~{S},5~{R})-5-(aminocarbonylamino)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC1CC(NC(=O)N)OC1COP(=O)(O)O |
| InChI | InChI | 1.06 | InChI=1S/C6H13N2O7P/c7-6(10)8-5-1-3(9)4(15-5)2-14-16(11,12)13/h3-5,9H,1-2H2,(H3,7,8,10)(H2,11,12,13)/t3-,4+,5+/m0/s1 |
| InChIKey | InChI | 1.06 | HSXUVWHNWPQKRN-VPENINKCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)N[C@H]1C[C@H](O)[C@@H](CO[P](O)(O)=O)O1 |
| SMILES | CACTVS | 3.385 | NC(=O)N[CH]1C[CH](O)[CH](CO[P](O)(O)=O)O1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1[C@@H]([C@H](O[C@H]1NC(=O)N)COP(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C(C(OC1NC(=O)N)COP(=O)(O)O)O |
