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116696-66-3 | α-D-Glucopyranoside, phenylmethyl 2-(acetylamino)-2-deoxy-3-O-methyl-4,6-O-(phenylmethylene)-
CAS No: 116696-66-3 Catalog No: AG000D0L MDL No:
Product Description
Catalog Number:
AG000D0L
Chemical Name:
α-D-Glucopyranoside, phenylmethyl 2-(acetylamino)-2-deoxy-3-O-methyl-4,6-O-(phenylmethylene)-
CAS Number:
116696-66-3
Molecular Formula:
C23H27NO6
Molecular Weight:
413.4636
IUPAC Name:
N-[(4aR,6S,7R,8R,8aS)-8-methoxy-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
InChI:
InChI=1S/C23H27NO6/c1-15(25)24-19-21(26-2)20-18(14-28-22(30-20)17-11-7-4-8-12-17)29-23(19)27-13-16-9-5-3-6-10-16/h3-12,18-23H,13-14H2,1-2H3,(H,24,25)/t18-,19-,20-,21-,22?,23+/m1/s1
InChI Key:
ABWUPDKLMGPJJS-UWPRFDSFSA-N
SMILES:
CO[C@H]1[C@@H]2OC(OCC2O[C@H]([C@H]1NC(=O)C)OCc1ccccc1)c1ccccc1
Properties
Complexity:
548
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
413.184g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
413.47g/mol
Monoisotopic Mass:
413.184g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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