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79528-48-6 | Methyl 3,4,6-Tri-O-acetyl-2-deoxy-2-phthalimido-1-thio-beta-D-glucopyranoside , 98%
CAS No: 79528-48-6 Catalog No: AG003RQ2 MDL No:
Product Description
Catalog Number:
AG003RQ2
Chemical Name:
Methyl 3,4,6-Tri-O-acetyl-2-deoxy-2-phthalimido-1-thio-beta-D-glucopyranoside , 98%
CAS Number:
79528-48-6
IUPAC Name:
[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-5-(1,3-dioxoisoindol-2-yl)-6-methylsulfanyloxan-2-yl]methyl acetate
InChI:
InChI=1S/C21H23NO9S/c1-10(23)28-9-15-17(29-11(2)24)18(30-12(3)25)16(21(31-15)32-4)22-19(26)13-7-5-6-8-14(13)20(22)27/h5-8,15-18,21H,9H2,1-4H3/t15-,16-,17-,18-,21+/m1/s1
InChI Key:
QNHCRERIIKDXAI-PLQGUWCTSA-N
Properties
Complexity:
763
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
465.109g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
465.473g/mol
Monoisotopic Mass:
465.109g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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