AHM

2,5-anhydro-1,6-di-O-phosphono-D-mannitol

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

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Chemical Details

Formal Charge0
Atom Count33
Chiral Atom Count4
Bond Count33
Aromatic Bond Count0
2D diagram of AHM

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Chemical Component Summary

Name2,5-anhydro-1,6-di-O-phosphono-D-mannitol
Synonyms2,5-ANHYDROMANNITOL-1,6-DIPHOSPHATE
Systematic Name (OpenEye OEToolkits)[(2R,3S,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]methyl dihydrogen phosphate
FormulaC6 H14 O11 P2
Molecular Weight324.116
TypeD-SACCHARIDE

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P(OCC1OC(C(O)C1O)COP(=O)(O)O)(O)O
SMILESCACTVS3.341O[CH]1[CH](O)[CH](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)OP(=O)(O)O
Canonical SMILESCACTVS3.341 O[C@H]1[C@H](O)[C@@H](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@H](O1)COP(=O)(O)O)O)O)OP(=O)(O)O
InChIInChI1.03 InChI=1S/C6H14O11P2/c7-5-3(1-15-18(9,10)11)17-4(6(5)8)2-16-19(12,13)14/h3-8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,4-,5-,6-/m1/s1
InChIKeyInChI1.03 WSMBXSQDFPTODV-KVTDHHQDSA-N

Related Resource References

Resource NameReference
PubChem 445556