48Z
2-deoxy-2-fluoro-5-O-thiophosphono-alpha-D-arabinofuranose
Created: | 2011-05-11 |
Last modified: | 2024-09-27 |
Find Related PDB Entry |
---|
Find related ligands: |
---|
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 24 |
Chiral Atom Count | 4 |
Bond Count | 24 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
---|---|
Name | 2-deoxy-2-fluoro-5-O-thiophosphono-alpha-D-arabinofuranose |
Systematic Name (OpenEye OEToolkits) | [(2R,3R,4S,5S)-4-fluoranyl-3,5-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphinic acid |
Formula | C5 H10 F O6 P S |
Molecular Weight | 248.166 |
Type | D-SACCHARIDE, ALPHA LINKING |
Chemical Descriptors | |||
---|---|---|---|
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FC1C(O)C(OC1O)COP(=O)(O)S |
SMILES | CACTVS | 3.370 | O[CH]1O[CH](CO[P](O)(S)=O)[CH](O)[CH]1F |
SMILES | OpenEye OEToolkits | 1.7.6 | C(C1C(C(C(O1)O)F)O)OP(=O)(O)S |
Canonical SMILES | CACTVS | 3.370 | O[C@H]1O[C@H](CO[P](O)(S)=O)[C@@H](O)[C@@H]1F |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | C([C@@H]1[C@H]([C@@H]([C@H](O1)O)F)O)O[P@](=O)(O)S |
InChI | InChI | 1.03 | InChI=1S/C5H10FO6PS/c6-3-4(7)2(12-5(3)8)1-11-13(9,10)14/h2-5,7-8H,1H2,(H2,9,10,14)/t2-,3+,4-,5+/m1/s1 |
InChIKey | InChI | 1.03 | ACXIGHNBDAUOFX-LECHCGJUSA-N |
Related Resource References
Resource Name | Reference |
---|---|
PubChem | 137348215, 54669589 |