200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 126176-79-2
126176-79-2 | β-D-Glucopyranoside, 2-[(1R)-2-hydroxy-1-[(4-hydroxy-3-methoxyphenyl)methyl]ethyl]-4-[(1E)-3-hydroxy-1-propen-1-yl]-6-methoxyphenyl
CAS No: 126176-79-2 Catalog No: AG000S01 MDL No:MFCD17214940
Product Description
Catalog Number:
AG000S01
Chemical Name:
β-D-Glucopyranoside, 2-[(1R)-2-hydroxy-1-[(4-hydroxy-3-methoxyphenyl)methyl]ethyl]-4-[(1E)-3-hydroxy-1-propen-1-yl]-6-methoxyphenyl
CAS Number:
126176-79-2
Molecular Formula:
C26H34O11
Molecular Weight:
522.5416
MDL Number:
MFCD17214940
IUPAC Name:
(2S,3R,4S,5S,6R)-2-[2-[(2R)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
InChI:
InChI=1S/C26H34O11/c1-34-19-10-15(5-6-18(19)30)8-16(12-28)17-9-14(4-3-7-27)11-20(35-2)25(17)37-26-24(33)23(32)22(31)21(13-29)36-26/h3-6,9-11,16,21-24,26-33H,7-8,12-13H2,1-2H3/b4-3+/t16-,21+,22+,23-,24+,26-/m0/s1
InChI Key:
UFFRBCKYXMEITK-RUBGFCLFSA-N
SMILES:
OC/C=C/c1cc([C@@H](Cc2ccc(c(c2)OC)O)CO)c(c(c1)OC)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
Properties
Complexity:
693
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
1
Exact Mass:
522.21g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
522.547g/mol
Monoisotopic Mass:
522.21g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
179A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.