200,000+ products from a single source!
sales@angenechem.com
178600-68-5 | 2H-Pyran-4-acetic acid, 5-carboxy-3-ethylidene-2-(β-D-glucopyranosyloxy)-3,4-dihydro-, (2S,3E,4S)-
CAS No: 178600-68-5 Catalog No: AG002662 MDL No:
Product Description
Catalog Number:
AG002662
Chemical Name:
2H-Pyran-4-acetic acid, 5-carboxy-3-ethylidene-2-(β-D-glucopyranosyloxy)-3,4-dihydro-, (2S,3E,4S)-
CAS Number:
178600-68-5
Molecular Formula:
C16H22O11
Molecular Weight:
390.3393
IUPAC Name:
(4S,5E,6S)-4-(carboxymethyl)-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid
InChI:
InChI=1S/C16H22O11/c1-2-6-7(3-10(18)19)8(14(23)24)5-25-15(6)27-16-13(22)12(21)11(20)9(4-17)26-16/h2,5,7,9,11-13,15-17,20-22H,3-4H2,1H3,(H,18,19)(H,23,24)/b6-2+/t7-,9+,11+,12-,13+,15-,16-/m0/s1
InChI Key:
PNMNSRMFRJNZFD-IPEIANHJSA-N
SMILES:
C/C=C\1/[C@@H](OC=C([C@H]1CC(=O)O)C(=O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
Properties
Complexity:
628
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
Defined Bond Stereocenter Count:
1
Exact Mass:
390.116g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
390.341g/mol
Monoisotopic Mass:
390.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
183A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.