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90899-20-0 | (2S,3R,4S,5R,6R)-2-(4-ethenylphenoxy)-6-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
CAS No: 90899-20-0 Catalog No: AG006GOX MDL No:
Product Description
Catalog Number:
AG006GOX
Chemical Name:
(2S,3R,4S,5R,6R)-2-(4-ethenylphenoxy)-6-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
CAS Number:
90899-20-0
Molecular Formula:
C19H26O10
Molecular Weight:
414.4037
IUPAC Name:
(2S,3R,4S,5S,6R)-2-(4-ethenylphenoxy)-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
InChI:
InChI=1S/C19H26O10/c1-2-9-3-5-10(6-4-9)28-19-17(25)15(23)14(22)12(29-19)8-27-18-16(24)13(21)11(20)7-26-18/h2-6,11-25H,1,7-8H2/t11-,12-,13+,14-,15+,16-,17-,18+,19-/m1/s1
InChI Key:
DZMYOBBWRZTUTA-BMVMOQKNSA-N
SMILES:
C=Cc1ccc(cc1)O[C@@H]1O[C@H](CO[C@H]2OC[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@@H]([C@H]1O)O)O
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
9
Defined Bond Stereocenter Count:
0
Exact Mass:
414.153g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
414.407g/mol
Monoisotopic Mass:
414.153g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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