48Z

2-deoxy-2-fluoro-5-O-thiophosphono-alpha-D-arabinofuranose

Created: 2011-05-11
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count24
Chiral Atom Count4
Bond Count24
Aromatic Bond Count0
2D diagram of 48Z

Chemical Component Summary

Name2-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
FormulaC5 H10 F O6 P S
Molecular Weight248.166
TypeD-SACCHARIDE, ALPHA LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01FC1C(O)C(OC1O)COP(=O)(O)S
SMILESCACTVS3.370O[CH]1O[CH](CO[P](O)(S)=O)[CH](O)[CH]1F
SMILESOpenEye OEToolkits1.7.6C(C1C(C(C(O1)O)F)O)OP(=O)(O)S
Canonical SMILESCACTVS3.370 O[C@H]1O[C@H](CO[P](O)(S)=O)[C@@H](O)[C@@H]1F
Canonical SMILESOpenEye OEToolkits1.7.6 C([C@@H]1[C@H]([C@@H]([C@H](O1)O)F)O)O[P@](=O)(O)S
InChIInChI1.03 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
InChIKeyInChI1.03 ACXIGHNBDAUOFX-LECHCGJUSA-N

Related Resource References

Resource NameReference
PubChem 137348215, 54669589