DV3
Summary
| Name: | 1,4-anhydro-2-deoxy-5-O-thiophosphono-D-erythro-pentitol |
| Formula: | C5 H11 O5 P S |
| Formal charge: | 0 |
| Formula weight: | 214.177 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1,4-anhydro-2-deoxy-5-O-thiophosphono-D-erythro-pentitol |
| OpenEye OEToolkits | 2.0.6 | [(2~{R},3~{S})-3-oxidanyloxolan-2-yl]methoxy-sulfanyl-phosphinic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O(P(S)(O)=O)CC1OCCC1O |
| InChI | InChI | 1.03 | InChI=1S/C5H11O5PS/c6-4-1-2-9-5(4)3-10-11(7,8)12/h4-6H,1-3H2,(H2,7,8,12)/t4-,5+/m0/s1 |
| InChIKey | InChI | 1.03 | PPLIRDZWRNAVLB-CRCLSJGQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1CCO[C@@H]1CO[P](O)(S)=O |
| SMILES | CACTVS | 3.385 | O[CH]1CCO[CH]1CO[P](O)(S)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1CO[C@@H]([C@H]1O)COP(=O)(O)S |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1COC(C1O)COP(=O)(O)S |
