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.

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R)-4-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethylcyclohexyl]butan-2-yl]oxyoxane-3,4,5-triol

PubChem CID: 10384912

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

Compound Synonyms CHEMBL3608835
Topological Polar Surface Area 120.0
Hydrogen Bond Donor Count 5.0
Heavy Atom Count 26.0
Isotope Atom Count 0.0
Molecular Complexity 444.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 9.0
Iupac Name (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R)-4-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethylcyclohexyl]butan-2-yl]oxyoxane-3,4,5-triol
Prediction Hob 0.0
Xlogp 1.2
Molecular Formula C19H36O7
Prediction Swissadme 0.0
Inchi Key IOICPLCBYINMDA-XEDNMXAHSA-N
Fcsp3 1.0
Logs -2.397
Rotatable Bond Count 6.0
Logd 2.636
Compound Name (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R)-4-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethylcyclohexyl]butan-2-yl]oxyoxane-3,4,5-triol
Prediction Hob Swissadme 0.0
Exact Mass 376.246
Formal Charge 0.0
Monoisotopic Mass 376.246
Hydrogen Bond Acceptor Count 7.0
Molecular Weight 376.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 9.0
Total Bond Stereocenter Count 0.0
Esol -2.5405380000000006
Inchi InChI=1S/C19H36O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h10-18,20-24H,5-9H2,1-4H3/t10-,11-,12+,13+,14-,15-,16+,17-,18-/m1/s1
Smiles C[C@@H]1C[C@@H](CC([C@H]1CC[C@@H](C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)(C)C)O
Nring 2.0
Defined Bond Stereocenter Count 0.0