YB9
Summary
| Name: | 1-carbamamido-1,2-dideoxy-5-O-phosphono-L-threo-pentitol |
| Formula: | C6 H15 N2 O7 P |
| Formal charge: | 0 |
| Formula weight: | 258.166 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-carbamamido-1,2-dideoxy-5-O-phosphono-L-threo-pentitol |
| OpenEye OEToolkits | 2.0.7 | [(2~{S},3~{S})-5-(aminocarbonylamino)-2,3-bis(oxidanyl)pentyl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)OCC(O)C(O)CCNC(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C6H15N2O7P/c7-6(11)8-2-1-4(9)5(10)3-15-16(12,13)14/h4-5,9-10H,1-3H2,(H3,7,8,11)(H2,12,13,14)/t4-,5-/m0/s1 |
| InChIKey | InChI | 1.06 | QCWIKWZHQRZZSF-WHFBIAKZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)NCC[C@H](O)[C@@H](O)CO[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | NC(=O)NCC[CH](O)[CH](O)CO[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C(CNC(=O)N)[C@@H]([C@H](COP(=O)(O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(CNC(=O)N)C(C(COP(=O)(O)O)O)O |
