Obsolete: SUC

?

Summary

Name:SUCROSE
Formula:C12 H22 O11
Formal charge:0
Molecular weight:342.296 Da
Component type:saccharide

Chemical Identifiers

ProgramVersionName
ACDLabs10.04beta-D-fructofuranosyl alpha-D-glucopyranoside
OpenEye OEToolkits1.5.0(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O1C(CO)C(O)C(O)C(O)C1OC2(OC(C(O)C2O)CO)CO
SMILES_CANONICALCACTVS3.341OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
SMILESCACTVS3.341OC[CH]1O[CH](O[C]2(CO)O[CH](CO)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O
SMILESOpenEye OEToolkits1.5.0C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O
InChIInChI1.03InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1
InChIKeyInChI1.03CZMRCDWAGMRECN-UGDNZRGBSA-N
167327
PDB entries from 2020-08-05