AFP

1,6-di-O-phosphono-alpha-D-fructofuranose

Created:1999-07-08
Last modified:  2020-07-17

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Chemical Details

Formal Charge0
Atom Count34
Chiral Atom Count4
Bond Count34
Aromatic Bond Count0
2D diagram of AFP

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Chemical Component Summary

Name1,6-di-O-phosphono-alpha-D-fructofuranose
SynonymsALPHA FRUCTOSE 1,6-DIPHOSPHATE; 1,6-di-O-phosphono-alpha-D-fructose; 1,6-di-O-phosphono-D-fructose; 1,6-di-O-phosphono-fructose
Systematic Name (OpenEye OEToolkits)[(2S,3S,4S,5R)-2,3,4-trihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]methyl dihydrogen phosphate
FormulaC6 H14 O12 P2
Molecular Weight340.116
TypeD-SACCHARIDE, ALPHA LINKING

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P(O)(O)OCC1OC(O)(COP(=O)(O)O)C(O)C1O
SMILESCACTVS3.341O[CH]1[CH](O)[C](O)(CO[P](O)(O)=O)O[CH]1CO[P](O)(O)=O
SMILESOpenEye OEToolkits1.5.0C(C1C(C(C(O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O
Canonical SMILESCACTVS3.341 O[C@H]1[C@H](O)[C@](O)(CO[P](O)(O)=O)O[C@@H]1CO[P](O)(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 C([C@@H]1[C@H]([C@@H]([C@@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O
InChIInChI1.03 InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6+/m1/s1
InChIKeyInChI1.03 RNBGYGVWRKECFJ-ZXXMMSQZSA-N

Related Resource References

Resource NameReference
PubChem 445557
ChEMBL CHEMBL1089962
ChEBI CHEBI:40595