3HD

1,5-anhydro-3-O-methyl-D-mannitol

Created:2006-06-30
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count26
Chiral Atom Count4
Bond Count26
Aromatic Bond Count0
2D diagram of 3HD

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Chemical Component Summary

Name1,5-anhydro-3-O-methyl-D-mannitol
Synonyms3-O-METHYL-O-ALPHA-D-MANNOPYRANOSYL
Systematic Name (OpenEye OEToolkits)(2R,3R,4R,5R)-2-(hydroxymethyl)-4-methoxy-oxane-3,5-diol
FormulaC7 H14 O5
Molecular Weight178.183
TypeD-SACCHARIDE

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O(C)C1C(O)C(OCC1O)CO
SMILESCACTVS3.341CO[CH]1[CH](O)CO[CH](CO)[CH]1O
SMILESOpenEye OEToolkits1.5.0COC1C(COC(C1O)CO)O
Canonical SMILESCACTVS3.341 CO[C@@H]1[C@H](O)CO[C@H](CO)[C@H]1O
Canonical SMILESOpenEye OEToolkits1.5.0 CO[C@@H]1[C@@H](CO[C@@H]([C@H]1O)CO)O
InChIInChI1.03 InChI=1S/C7H14O5/c1-11-7-4(9)3-12-5(2-8)6(7)10/h4-10H,2-3H2,1H3/t4-,5-,6-,7-/m1/s1
InChIKeyInChI1.03 GWYGLRYBQUSWAT-DBRKOABJSA-N

Related Resource References

Resource NameReference
PubChem 49866488