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3HD : Summary

Code

3HD

One-letter code

X

Molecule name

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

Systematic names

ProgramVersionName
ACDLabs 10.04 1,5-anhydro-3-O-methyl-D-mannitol
OpenEye OEToolkits 1.5.0 (2R,3R,4R,5R)-2-(hydroxymethyl)-4-methoxy-oxane-3,5-diol

Formula

C7 H14 O5

Formal charge

0

Molecular weight

178.183 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O(C)C1C(O)C(OCC1O)CO
SMILES CACTVS 3.341 CO[CH]1[CH](O)CO[CH](CO)[CH]1O
SMILES OpenEye OEToolkits 1.5.0 COC1C(COC(C1O)CO)O
Canonical SMILES CACTVS 3.341 CO[C@@H]1[C@H](O)CO[C@H](CO)[C@H]1O
Canonical SMILES OpenEye OEToolkits 1.5.0 CO[C@@H]1[C@@H](CO[C@@H]([C@H]1O)CO)O

IUPAC InChI

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

IUPAC InChI key

GWYGLRYBQUSWAT-DBRKOABJSA-N
3HD

wwPDB Information

Atom count

26 (12 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2006-06-30

Last modified at

2024-09-27

Status

Released

Obsoleted

Not Assigned