DXD
Summary
| Name: | (1S,3S,4R)-4-(PHOSPHOOXYMETHYL)-CYCLOPENTANE-1,3-DIOL |
| Formula: | C6 H13 O6 P |
| Formal charge: | 0 |
| Formula weight: | 212.138 Da |
| Component type: | DNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | [(1R,2S,4S)-2,4-dihydroxycyclopentyl]methyl dihydrogen phosphate |
| OpenEye OEToolkits | 1.5.0 | [(1R,2S,4S)-2,4-dihydroxycyclopentyl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(OCC1CC(O)CC1O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@@H]1C[C@H](O)[C@@H](CO[P](O)(O)=O)C1 |
| SMILES | CACTVS | 3.341 | O[CH]1C[CH](O)[CH](CO[P](O)(O)=O)C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@@H](C[C@@H]([C@H]1COP(=O)(O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C(CC(C1COP(=O)(O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H13O6P/c7-5-1-4(6(8)2-5)3-12-13(9,10)11/h4-8H,1-3H2,(H2,9,10,11)/t4-,5+,6+/m1/s1 |
| InChIKey | InChI | 1.03 | BSAJVOLDMHTVPM-SRQIZXRXSA-N |
