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Erythro-Guaiacylglycerol

PubChem CID: 12310250

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Compound Synonyms erythro-Guaiacylglycerol, (1S,2R)-1-(4-hydroxy-3-methoxyphenyl)propane-1,2,3-triol, 38916-91-5, CHEMBL3608841, AKOS032962389, FS-9853, CS-0024356
Topological Polar Surface Area 90.2
Hydrogen Bond Donor Count 4.0
Heavy Atom Count 15.0
Isotope Atom Count 0.0
Molecular Complexity 187.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 2.0
Iupac Name (1S,2R)-1-(4-hydroxy-3-methoxyphenyl)propane-1,2,3-triol
Prediction Hob 1.0
Xlogp -0.6
Molecular Formula C10H14O5
Prediction Swissadme 0.0
Inchi Key LSKFUSLVUZISST-SCZZXKLOSA-N
Fcsp3 0.4
Logs -0.088
Rotatable Bond Count 4.0
Logd -0.237
Compound Name Erythro-Guaiacylglycerol
Prediction Hob Swissadme 0.0
Exact Mass 214.084
Formal Charge 0.0
Monoisotopic Mass 214.084
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 214.21
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Esol -0.3118453999999999
Inchi InChI=1S/C10H14O5/c1-15-9-4-6(2-3-7(9)12)10(14)8(13)5-11/h2-4,8,10-14H,5H2,1H3/t8-,10+/m1/s1
Smiles COC1=C(C=CC(=C1)[C@@H]([C@@H](CO)O)O)O
Nring 1.0
Defined Bond Stereocenter Count 0.0