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.

(2S,3R,4S,5S,6R)-2-[2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol

PubChem CID: 101093955

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

ℹ️ Click here to know more about the properties
Topological Polar Surface Area 109.0
Hydrogen Bond Donor Count 4.0
Heavy Atom Count 23.0
Isotope Atom Count 0.0
Molecular Complexity 427.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 7.0
Iupac Name (2S,3R,4S,5S,6R)-2-[2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Prediction Hob 1.0
Xlogp -0.2
Molecular Formula C16H28O7
Prediction Swissadme 1.0
Inchi Key ULDXKOJTIZCIHV-FQSQWYRASA-N
Fcsp3 0.875
Logs -1.178
Rotatable Bond Count 5.0
Logd 0.749
Compound Name (2S,3R,4S,5S,6R)-2-[2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Prediction Hob Swissadme 1.0
Exact Mass 332.184
Formal Charge 0.0
Monoisotopic Mass 332.184
Hydrogen Bond Acceptor Count 7.0
Molecular Weight 332.39
Covalent Unit Count 1.0
Total Atom Stereocenter Count 7.0
Total Bond Stereocenter Count 0.0
Esol -1.4700365999999998
Inchi InChI=1S/C16H28O7/c1-5-16(4)7-6-10(22-16)15(2,3)23-14-13(20)12(19)11(18)9(8-17)21-14/h5,9-14,17-20H,1,6-8H2,2-4H3/t9-,10-,11-,12+,13-,14+,16-/m1/s1
Smiles C[C@]1(CC[C@@H](O1)C(C)(C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C=C
Nring 2.0
Defined Bond Stereocenter Count 0.0

Back to Browse   Back to Home