200,000+ products from a single source!
sales@angenechem.com
138906-41-9 | β-D-Glucopyranoside, 4-methoxyphenyl 2-deoxy-2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, 3,4,6-triacetate
CAS No: 138906-41-9 Catalog No: AG0019SJ MDL No:MFCD06797125
Product Description
Catalog Number:
AG0019SJ
Chemical Name:
β-D-Glucopyranoside, 4-methoxyphenyl 2-deoxy-2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, 3,4,6-triacetate
CAS Number:
138906-41-9
Molecular Formula:
C27H27NO11
Molecular Weight:
541.5034
MDL Number:
MFCD06797125
IUPAC Name:
[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-5-(1,3-dioxoisoindol-2-yl)-6-(4-methoxyphenoxy)oxan-2-yl]methyl acetate
InChI:
InChI=1S/C27H27NO11/c1-14(29)35-13-21-23(36-15(2)30)24(37-16(3)31)22(27(39-21)38-18-11-9-17(34-4)10-12-18)28-25(32)19-7-5-6-8-20(19)26(28)33/h5-12,21-24,27H,13H2,1-4H3/t21-,22-,23-,24-,27-/m1/s1
InChI Key:
YKSPBIYKEHIGHE-XMPCBSOPSA-N
SMILES:
COc1ccc(cc1)O[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1N1C(=O)c2c(C1=O)cccc2)OC(=O)C)OC(=O)C
Properties
Complexity:
922
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
541.158g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
541.509g/mol
Monoisotopic Mass:
541.158g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
144A^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.