ISOMALT

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: S870P55O2W

Structure
InChI Key SERLAGPUMNYUCK-BLEZHGCXSA-N
Smile OCC(O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI
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/t4?,5-,6-,7-,8-,9-,10+,11-,12+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H24O11
Molecular Weight 344.31
AlogP -5.76
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 9.0
Number of Rotational Bond 8.0
Polar Surface Area 200.53
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 23.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Inflammatory Bowel Diseases 1 D015212 ClinicalTrials

Cross References

Resources Reference
ChEBI 140428
ChEMBL CHEMBL2104398
EPA CompTox DTXSID8020753
FDA SRS S870P55O2W
SureChEMBL SCHEMBL1781066
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