JVS

1-deoxy-1-fluoro-2-O-phosphono-alpha-D-gluco-hept-2-ulopyranose

Created: 2018-10-04
Last modified:  2020-07-17

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Chemical Details

Formal Charge0
Atom Count32
Chiral Atom Count5
Bond Count32
Aromatic Bond Count0
2D diagram of JVS
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Chemical Component Summary

Name1-deoxy-1-fluoro-2-O-phosphono-alpha-D-gluco-hept-2-ulopyranose
Synonyms1-deoxy-1-fluoro-2-O-phosphono-alpha-D-gluco-hept-2-ulose; 1-deoxy-1-fluoro-2-O-phosphono-D-gluco-hept-2-ulose; 1-deoxy-1-fluoro-2-O-phosphono-gluco-hept-2-ulose
Systematic Name (OpenEye OEToolkits)[(2~{S},3~{R},4~{S},5~{S},6~{R})-2-(fluoranylmethyl)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] dihydrogen phosphate
FormulaC7 H14 F O9 P
Molecular Weight292.153
TypeD-SACCHARIDE

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01C1(C(C(CF)(OC(C1O)CO)OP(O)(=O)O)O)O
SMILESCACTVS3.385OC[CH]1O[C](CF)(O[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
SMILESOpenEye OEToolkits2.0.6C(C1C(C(C(C(O1)(CF)OP(=O)(O)O)O)O)O)O
Canonical SMILESCACTVS3.385 OC[C@H]1O[C@](CF)(O[P](O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1O
Canonical SMILESOpenEye OEToolkits2.0.6 C([C@@H]1[C@H]([C@@H]([C@H]([C@@](O1)(CF)OP(=O)(O)O)O)O)O)O
InChIInChI1.03 InChI=1S/C7H14FO9P/c8-2-7(17-18(13,14)15)6(12)5(11)4(10)3(1-9)16-7/h3-6,9-12H,1-2H2,(H2,13,14,15)/t3-,4-,5+,6-,7-/m1/s1
InChIKeyInChI1.03 QZQSCDCQGPJKOV-XUUWZHRGSA-N

Related Resource References

Resource NameReference
PubChem 138756251