F2P

1,6-DI-O-PHOSPHONO-D-ALLITOL

Created: 2004-09-27
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count36
Chiral Atom Count4
Bond Count35
Aromatic Bond Count0
2D diagram of F2P

Chemical Component Summary

Name1,6-DI-O-PHOSPHONO-D-ALLITOL
Systematic Name (OpenEye OEToolkits)[(2R,3R,4S,5S)-2,3,4,5-tetrahydroxy-6-phosphonooxy-hexyl] dihydrogen phosphate
FormulaC6 H16 O12 P2
Molecular Weight342.132
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=P(O)(O)OCC(O)C(O)C(O)C(O)COP(=O)(O)O
SMILESCACTVS3.341O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
SMILESOpenEye OEToolkits1.5.0C(C(C(C(C(COP(=O)(O)O)O)O)O)O)OP(=O)(O)O
Canonical SMILESCACTVS3.341 O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H](O)[C@@H](O)CO[P](O)(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 C([C@H]([C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O)O)OP(=O)(O)O
InChIInChI1.03 InChI=1S/C6H16O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,4+,5-,6+
InChIKeyInChI1.03 WOYYTQHMNDWRCW-FBXFSONDSA-N

Drug Info: DrugBank

DrugBank IDDB02760 
Name1,6-Di-O-Phosphono-D-Allitol
Groups experimental
Synonyms1,6-Di-O-Phosphono-D-Allitol

Related Resource References

Resource NameReference
PubChem 5288174