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Z6W

Summary
Name:(5R)-5-[(2R)-2-hydroxynonyl]-beta-D-xylulofuranose
Formula:C14 H28 O6
Formal charge:0
Formula weight:292.369 Da
Component type:D-saccharide, beta linking

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(5R)-5-[(2R)-2-hydroxynonyl]-beta-D-xylulofuranose
OpenEye OEToolkits1.7.6(2R,3S,4S,5R)-2-(hydroxymethyl)-5-(2-oxidanylnonyl)oxolane-2,3,4-triol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OC1C(O)C(OC1(O)CO)CC(O)CCCCCCC
InChIInChI1.03InChI=1S/C14H28O6/c1-2-3-4-5-6-7-10(16)8-11-12(17)13(18)14(19,9-15)20-11/h10-13,15-19H,2-9H2,1H3/t10-,11-,12-,13+,14-/m1/s1
InChIKeyInChI1.03ACFOUPJNYNVPQE-XGFWRYKXSA-N
SMILES_CANONICALCACTVS3.370CCCCCCC[C@@H](O)C[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
SMILESCACTVS3.370CCCCCCC[CH](O)C[CH]1O[C](O)(CO)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.7.6CCCCCCCC(C[C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O
SMILESOpenEye OEToolkits1.7.6CCCCCCCC(CC1C(C(C(O1)(CO)O)O)O)O

221051

PDB entries from 2024-06-12

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