This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

2-[4-[(2R,3S)-3-(Hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydrobenzofuran-2-yl]-2,6-dimethoxy-phenoxy]propane-1,3-diol

PubChem CID: 71591634

Connections displayed (default: 10).
Loading graph...

ℹ️ Click here to know more about the properties
Compound Synonyms 2-[4-[(2R,3S)-3-(Hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydrobenzofuran-2-yl]-2,6-dimethoxy-phenoxy]propane-1,3-diol
Topological Polar Surface Area 127.0
Hydrogen Bond Donor Count 4.0
Heavy Atom Count 33.0
Isotope Atom Count 0.0
Molecular Complexity 546.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 2.0
Iupac Name 2-[4-[(2R,3S)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2,6-dimethoxyphenoxy]propane-1,3-diol
Prediction Hob 0.0
Xlogp 1.1
Molecular Formula C24H32O9
Prediction Swissadme 0.0
Inchi Key UDNVBKBWANAIGZ-GCJKJVERSA-N
Fcsp3 0.5
Logs -3.433
Rotatable Bond Count 12.0
Logd 1.548
Compound Name 2-[4-[(2R,3S)-3-(Hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydrobenzofuran-2-yl]-2,6-dimethoxy-phenoxy]propane-1,3-diol
Prediction Hob Swissadme 0.0
Exact Mass 464.205
Formal Charge 0.0
Monoisotopic Mass 464.205
Hydrogen Bond Acceptor Count 9.0
Molecular Weight 464.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Esol -2.877459109090911
Inchi InChI=1S/C24H32O9/c1-29-19-8-14(5-4-6-25)7-17-18(13-28)22(33-23(17)19)15-9-20(30-2)24(21(10-15)31-3)32-16(11-26)12-27/h7-10,16,18,22,25-28H,4-6,11-13H2,1-3H3/t18-,22+/m1/s1
Smiles COC1=CC(=CC2=C1O[C@H]([C@@H]2CO)C3=CC(=C(C(=C3)OC)OC(CO)CO)OC)CCCO
Nring 3.0
Defined Bond Stereocenter Count 0.0

Back to Browse   Back to Home