Structure

InChI Key WSVLPVUVIUVCRA-ZVYOHNBTSA-N
Smiles O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O
InChI
InChI=1S/C12H22O11.H2O/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17;/h3-20H,1-2H2;1H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H24O12
Molecular Weight 360.31
AlogP -5.4
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 8.0
Number of Rotational Bond 4.0
Polar Surface Area 189.53
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 23.0

Cross References

Resources Reference
ChEMBL CHEMBL2106323
FDA SRS EWQ57Q8I5X
PubChem 104938
SureChEMBL SCHEMBL16786