Structure Database (LMSD)

Common Name
1-O-alpha-D-Glucopyranosyl-D-mannitol
Systematic Name
6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexane-1,2,3,4,5-pentol
Synonyms
LM ID
LMFA13010063
Formula
C12H24O11
Exact Mass
Calculate m/z
344.131865
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty acyl glycosides [FA13]
Fatty acyl glycosides of mono- and disaccharides [FA1301]

String Representations

InChiKey (Click to copy)
SERLAGPUMNYUCK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H24O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h4-21H,1-3H2
SMILES (Click to copy)
OCC1OC(OCC(O)C(O)C(O)C(O)CO)C(O)C(O)C1O

Other Databases

HMDB ID
HMDB0029911
PubChem CID
4454759

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 1
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 300.49
Topological Polar Surface Area 202.60
Hydrogen Bond Donors 9
Hydrogen Bond Acceptors 11
logP -2.33
Molar Refractivity 76.91

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Updated at
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