63T
Summary
| Name: | [(2R,3S)-3-hydroxy-5-oxotetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name) |
| Formula: | C5 H9 O7 P |
| Formal charge: | 0 |
| Formula weight: | 212.095 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(2R,3S)-3-hydroxy-5-oxotetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name) |
| OpenEye OEToolkits | 2.0.4 | [(2~{R},3~{S})-3-oxidanyl-5-oxidanylidene-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O(CC1OC(CC1O)=O)P(O)(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C5H9O7P/c6-3-1-5(7)12-4(3)2-11-13(8,9)10/h3-4,6H,1-2H2,(H2,8,9,10)/t3-,4+/m0/s1 |
| InChIKey | InChI | 1.03 | HVOUTFMBJJOKCH-IUYQGCFVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1CC(=O)O[C@@H]1CO[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | O[CH]1CC(=O)O[CH]1CO[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | C1[C@@H]([C@H](OC1=O)COP(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | C1C(C(OC1=O)COP(=O)(O)O)O |
