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Z15

Summary
Name:(1S)-1,5-anhydro-1-(4-chloro-2,5-dihydroxyphenyl)-D-glucitol
Formula:C12 H15 Cl O7
Formal charge:0
Formula weight:306.696 Da
Component type:D-saccharide

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(1S)-1,5-anhydro-1-(4-chloro-2,5-dihydroxyphenyl)-D-glucitol
OpenEye OEToolkits1.7.0(2S,3R,4R,5S,6R)-2-(4-chloro-2,5-dihydroxy-phenyl)-6-(hydroxymethyl)oxane-3,4,5-triol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1c(O)cc(c(O)c1)C2OC(CO)C(O)C(O)C2O
SMILES_CANONICALCACTVS3.370OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2cc(O)c(Cl)cc2O
SMILESCACTVS3.370OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2cc(O)c(Cl)cc2O
SMILES_CANONICALOpenEye OEToolkits1.7.0c1c(c(cc(c1O)Cl)O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
SMILESOpenEye OEToolkits1.7.0c1c(c(cc(c1O)Cl)O)C2C(C(C(C(O2)CO)O)O)O
InChIInChI1.03InChI=1S/C12H15ClO7/c13-5-2-6(15)4(1-7(5)16)12-11(19)10(18)9(17)8(3-14)20-12/h1-2,8-12,14-19H,3H2/t8-,9-,10+,11-,12+/m1/s1
InChIKeyInChI1.03LHMIFDKRIZSEFV-ZIQFBCGOSA-N

227344

数据于2024-11-13公开中

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