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51C

Summary
Name:(6R)-1,6-anhydro-2-O-heptyl-6-(hydroxymethyl)-D-galactitol
Formula:C14 H28 O6
Formal charge:0
Formula weight:292.369 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(6R)-1,6-anhydro-2-O-heptyl-6-(hydroxymethyl)-D-galactitol
OpenEye OEToolkits1.9.2(2R,3S,4S,5S,6S)-6-heptoxy-2-(hydroxymethyl)oxepane-3,4,5-triol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OC1C(OCC(C(O)C1O)OCCCCCCC)CO
InChIInChI1.03InChI=1S/C14H28O6/c1-2-3-4-5-6-7-19-11-9-20-10(8-15)12(16)14(18)13(11)17/h10-18H,2-9H2,1H3/t10-,11+,12-,13-,14+/m1/s1
InChIKeyInChI1.03WXAPBESCSQWOGD-ITGHMWBKSA-N
SMILES_CANONICALCACTVS3.385CCCCCCCO[C@H]1CO[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
SMILESCACTVS3.385CCCCCCCO[CH]1CO[CH](CO)[CH](O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.9.2CCCCCCCO[C@H]1CO[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO
SMILESOpenEye OEToolkits1.9.2CCCCCCCOC1COC(C(C(C1O)O)O)CO

223790

PDB entries from 2024-08-14

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