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07B

Summary
Name:dimethyl (1S,2S,4S,5S)-4,5-dihydroxycyclohexane-1,2-dicarboxylate
Formula:C10 H16 O6
Formal charge:0
Formula weight:232.23 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs10.04dimethyl (1S,2S,4S,5S)-4,5-dihydroxycyclohexane-1,2-dicarboxylate
OpenEye OEToolkits1.6.1dimethyl (1S,2S,4S,5S)-4,5-dihydroxycyclohexane-1,2-dicarboxylate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(OC)C1CC(O)C(O)CC1C(=O)OC
SMILES_CANONICALCACTVS3.352COC(=O)[C@H]1C[C@H](O)[C@@H](O)C[C@@H]1C(=O)OC
SMILESCACTVS3.352COC(=O)[CH]1C[CH](O)[CH](O)C[CH]1C(=O)OC
SMILES_CANONICALOpenEye OEToolkits1.6.1COC(=O)[C@H]1C[C@@H]([C@H](C[C@@H]1C(=O)OC)O)O
SMILESOpenEye OEToolkits1.6.1COC(=O)C1CC(C(CC1C(=O)OC)O)O
InChIInChI1.03InChI=1S/C10H16O6/c1-15-9(13)5-3-7(11)8(12)4-6(5)10(14)16-2/h5-8,11-12H,3-4H2,1-2H3/t5-,6-,7-,8-/m0/s1
InChIKeyInChI1.03ICVNZKRWDVXSLF-XAMCCFCMSA-N

226707

PDB entries from 2024-10-30

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