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.

5-[(3As,6S,6aS)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxole

PubChem CID: 233333

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

ℹ️ Click here to know more about the properties
Compound Synonyms Asarinin, NSC31773, 5-[(3As,6S,6aS)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxole, NSC-31773, SCHEMBL19313764
Topological Polar Surface Area 55.4
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 26.0
Isotope Atom Count 0.0
Molecular Complexity 482.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 3.0
Iupac Name 5-[(3aS,6S,6aS)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxole
Prediction Hob 1.0
Xlogp 2.7
Molecular Formula C20H18O6
Prediction Swissadme 1.0
Inchi Key PEYUIKBAABKQKQ-XIDAIZRNSA-N
Fcsp3 0.4
Logs -5.634
Rotatable Bond Count 2.0
Logd 3.059
Compound Name 5-[(3As,6S,6aS)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxole
Prediction Hob Swissadme 1.0
Exact Mass 354.11
Formal Charge 0.0
Monoisotopic Mass 354.11
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 354.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 4.0
Total Bond Stereocenter Count 0.0
Esol -3.9349580615384627
Inchi InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19-,20?/m1/s1
Smiles C1[C@@H]2[C@@H](CO[C@@H]2C3=CC4=C(C=C3)OCO4)C(O1)C5=CC6=C(C=C5)OCO6
Nring 6.0
Defined Bond Stereocenter Count 0.0

Back to Browse   Back to Home