200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 116981-86-3
116981-86-3 | 2H-1-Benzopyran-2-one, 7-(β-D-glucopyranosyloxy)-4-(trifluoromethyl)-
CAS No: 116981-86-3 Catalog No: AG000DGL MDL No:
Product Description
Catalog Number:
AG000DGL
Chemical Name:
2H-1-Benzopyran-2-one, 7-(β-D-glucopyranosyloxy)-4-(trifluoromethyl)-
CAS Number:
116981-86-3
Molecular Formula:
C16H15F3O8
Molecular Weight:
392.2807
IUPAC Name:
4-(trifluoromethyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
InChI:
InChI=1S/C16H15F3O8/c17-16(18,19)8-4-11(21)26-9-3-6(1-2-7(8)9)25-15-14(24)13(23)12(22)10(5-20)27-15/h1-4,10,12-15,20,22-24H,5H2/t10-,12-,13+,14-,15-/m1/s1
InChI Key:
WXZJYRMHQCZVKG-TVKJYDDYSA-N
SMILES:
OC[C@H]1O[C@@H](Oc2ccc3c(c2)oc(=O)cc3C(F)(F)F)[C@@H]([C@H]([C@@H]1O)O)O
Properties
Complexity:
595
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
392.072g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
392.283g/mol
Monoisotopic Mass:
392.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.