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114853-29-1 | β-D-Glucopyranoside, 2-propen-1-yl 2-deoxy-2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-
CAS No: 114853-29-1 Catalog No: AG000FCC MDL No:
Product Description
Catalog Number:
AG000FCC
Chemical Name:
β-D-Glucopyranoside, 2-propen-1-yl 2-deoxy-2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-
CAS Number:
114853-29-1
Molecular Formula:
C17H19NO7
Molecular Weight:
349.3353
IUPAC Name:
2-[(2R,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]isoindole-1,3-dione
InChI:
InChI=1S/C17H19NO7/c1-2-7-24-17-12(14(21)13(20)11(8-19)25-17)18-15(22)9-5-3-4-6-10(9)16(18)23/h2-6,11-14,17,19-21H,1,7-8H2/t11?,12?,13-,14-,17-/m1/s1
InChI Key:
ZPZAUIIISMQKHG-BIBNWMFVSA-N
SMILES:
C=CCO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1N1C(=O)c2c(C1=O)cccc2)O)O
Properties
Complexity:
515
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
349.116g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
349.339g/mol
Monoisotopic Mass:
349.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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