200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 114991-26-3
114991-26-3 | β-D-Glucopyranosiduronic acid, 2,6-bis(1-methylethyl)phenyl
CAS No: 114991-26-3 Catalog No: AG000FJA MDL No:
Product Description
Catalog Number:
AG000FJA
Chemical Name:
β-D-Glucopyranosiduronic acid, 2,6-bis(1-methylethyl)phenyl
CAS Number:
114991-26-3
Molecular Formula:
C18H26O7
Molecular Weight:
354.3948
IUPAC Name:
(2S,3S,4S,5R,6S)-6-[2,6-di(propan-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
InChI:
InChI=1S/C18H26O7/c1-8(2)10-6-5-7-11(9(3)4)15(10)24-18-14(21)12(19)13(20)16(25-18)17(22)23/h5-9,12-14,16,18-21H,1-4H3,(H,22,23)/t12-,13-,14+,16-,18+/m0/s1
InChI Key:
JZSJIASBMOIIKI-RUKPJNHUSA-N
SMILES:
OC(=O)[C@H]1O[C@@H](Oc2c(cccc2C(C)C)C(C)C)[C@@H]([C@H]([C@@H]1O)O)O
UNII:
79NPJ6GX2W
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
354.168g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
354.399g/mol
Monoisotopic Mass:
354.168g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
116A^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.