4-O-Hexopyranosylhex-2-ulofuranose

HCID 3872
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Basic information

Standard SMILES
OCC1OC(OC2C(CO)OC(O)(CO)C2O)C(O)C(O)C1O
InChIKey
JCQLYHFGKNRPGE-UHFFFAOYSA-N
Molecular formula
C12H22O11
Average molar mass
342.3 g/mol
Monoisotopic mass
342.11621152

Names & identifiers

Preferred name
4-O-Hexopyranosylhex-2-ulofuranose
IUPAC
2-[4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Names & synonyms

4-O-hexopyranosylhex-2-ulofuranoseDTXSID00859878RefChem:935811GlyTouCan:G84691TQDTXCID10209986G84691TQCaloryl2-hexulofuranose, 4-O-hexopyranosyl-Lactulose, >95%4-O-beta-D-Galactopyranosyl-D-fructofuranose;laevolac; Lactulose; Cholac; Enulose; LiforosCHEMBL58143SCHEMBL12787132
Show more names
ALBB-022459STL419985AKOS015997942LS-14145DB-070717NS00007402F372978C1F45531-2C58-4506-BD17-367ECD705927

Database identifiers

PubChem CID
3872
DTXSID
DTXSID00859878
ChEMBL
CHEMBL58143

Properties

Computed structural properties

XLogP
-4.3
Topological polar surface area
190 Ų
Hydrogen bond donors
8
Hydrogen bond acceptors
11
Rotatable bonds
5
Heavy atoms
23

Related reactions

1 records
New reaction record

Linked notes

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