X4A
Summary
| Name: | [(2R,3S,5S)-2,3,5-TRIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN PHOSPHATE |
| Formula: | C5 H11 O8 P |
| Formal charge: | 0 |
| Formula weight: | 230.11 Da |
| Component type: | DNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | [(2R,3S,5S)-2,3,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name) |
| OpenEye OEToolkits | 1.5.0 | [(2R,3S,5S)-2,3,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(OCC1(O)OC(O)CC1O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@@H]1C[C@H](O)[C@@](O)(CO[P](O)(O)=O)O1 |
| SMILES | CACTVS | 3.341 | O[CH]1C[CH](O)[C](O)(CO[P](O)(O)=O)O1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@@H]([C@](O[C@@H]1O)(COP(=O)(O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C(C(OC1O)(COP(=O)(O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H11O8P/c6-3-1-4(7)13-5(3,8)2-12-14(9,10)11/h3-4,6-8H,1-2H2,(H2,9,10,11)/t3-,4-,5+/m0/s1 |
| InChIKey | InChI | 1.03 | SJMLCPWMIBHTKX-VAYJURFESA-N |
