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(2R)-2-[(1S,2R)-1-hydroxy-2-[(1R,2S)-2-hydroxy-2-[(2R)-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethoxy]-2-phenylethyl]-2,3-dihydropyran-6-one

PubChem CID: 162893190

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Topological Polar Surface Area 102.0
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 33.0
Isotope Atom Count 0.0
Molecular Complexity 660.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 6.0
Iupac Name (2R)-2-[(1S,2R)-1-hydroxy-2-[(1R,2S)-2-hydroxy-2-[(2R)-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethoxy]-2-phenylethyl]-2,3-dihydropyran-6-one
Prediction Hob 1.0
Xlogp 2.9
Molecular Formula C26H26O7
Prediction Swissadme 1.0
Inchi Key FFAHIROHRBNAFE-VVMDDORESA-N
Fcsp3 0.3076923076923077
Logs -4.134
Rotatable Bond Count 8.0
Logd 2.691
Compound Name (2R)-2-[(1S,2R)-1-hydroxy-2-[(1R,2S)-2-hydroxy-2-[(2R)-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethoxy]-2-phenylethyl]-2,3-dihydropyran-6-one
Prediction Hob Swissadme 1.0
Exact Mass 450.168
Formal Charge 0.0
Monoisotopic Mass 450.168
Hydrogen Bond Acceptor Count 7.0
Molecular Weight 450.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 6.0
Total Bond Stereocenter Count 0.0
Esol -4.22631030909091
Inchi InChI=1S/C26H26O7/c27-21-15-7-13-19(31-21)23(29)25(17-9-3-1-4-10-17)33-26(18-11-5-2-6-12-18)24(30)20-14-8-16-22(28)32-20/h1-12,15-16,19-20,23-26,29-30H,13-14H2/t19-,20-,23+,24+,25-,26-/m1/s1
Smiles C1C=CC(=O)O[C@H]1[C@@H]([C@@H](C2=CC=CC=C2)O[C@H](C3=CC=CC=C3)[C@H]([C@H]4CC=CC(=O)O4)O)O
Nring 4.0
Defined Bond Stereocenter Count 0.0

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