200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1423018-01-2
1423018-01-2 | β-D-Galactopyranoside, ethyl 1-thio-, 2,4,6-tribenzoate
CAS No: 1423018-01-2 Catalog No: AG001I53 MDL No:MFCD18643040
Product Description
Catalog Number:
AG001I53
Chemical Name:
β-D-Galactopyranoside, ethyl 1-thio-, 2,4,6-tribenzoate
CAS Number:
1423018-01-2
Molecular Formula:
C29H28O8S
Molecular Weight:
536.5928
MDL Number:
MFCD18643040
IUPAC Name:
[(2R,3R,4S,5R,6S)-3,5-dibenzoyloxy-6-ethylsulfanyl-4-hydroxyoxan-2-yl]methyl benzoate
InChI:
InChI=1S/C29H28O8S/c1-2-38-29-25(37-28(33)21-16-10-5-11-17-21)23(30)24(36-27(32)20-14-8-4-9-15-20)22(35-29)18-34-26(31)19-12-6-3-7-13-19/h3-17,22-25,29-30H,2,18H2,1H3/t22-,23+,24+,25-,29+/m1/s1
InChI Key:
LBGUMRQZNXDISS-HGQALCJKSA-N
SMILES:
CCS[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H]([C@@H]([C@H]1OC(=O)c1ccccc1)O)OC(=O)c1ccccc1
EC Number:
806-753-9
Properties
Complexity:
773
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
536.15g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
536.595g/mol
Monoisotopic Mass:
536.15g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.