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(1R,2R)-2-[2-hydroxy-4-(3-hydroxypropyl)phenoxy]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol

PubChem CID: 11793120

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Compound Synonyms CHEMBL2442724
Topological Polar Surface Area 120.0
Hydrogen Bond Donor Count 5.0
Heavy Atom Count 26.0
Isotope Atom Count 0.0
Molecular Complexity 394.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 2.0
Iupac Name (1R,2R)-2-[2-hydroxy-4-(3-hydroxypropyl)phenoxy]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
Prediction Hob 1.0
Xlogp 1.3
Molecular Formula C19H24O7
Prediction Swissadme 0.0
Inchi Key KMYQEVOSRSCASE-RTBURBONSA-N
Fcsp3 0.3684210526315789
Logs -2.268
Rotatable Bond Count 9.0
Logd 0.919
Compound Name (1R,2R)-2-[2-hydroxy-4-(3-hydroxypropyl)phenoxy]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
Prediction Hob Swissadme 0.0
Exact Mass 364.152
Formal Charge 0.0
Monoisotopic Mass 364.152
Hydrogen Bond Acceptor Count 7.0
Molecular Weight 364.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Esol -2.6720812615384615
Inchi InChI=1S/C19H24O7/c1-25-17-10-13(5-6-14(17)22)19(24)18(11-21)26-16-7-4-12(3-2-8-20)9-15(16)23/h4-7,9-10,18-24H,2-3,8,11H2,1H3/t18-,19-/m1/s1
Smiles COC1=C(C=CC(=C1)[C@H]([C@@H](CO)OC2=C(C=C(C=C2)CCCO)O)O)O
Nring 2.0
Defined Bond Stereocenter Count 0.0