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162088-91-7 | β-D-Xylopyranoside, 2-nitrophenyl, 2,3-diacetate
CAS No: 162088-91-7 Catalog No: AG001SQ2 MDL No:MFCD07369587
Product Description
Catalog Number:
AG001SQ2
Chemical Name:
β-D-Xylopyranoside, 2-nitrophenyl, 2,3-diacetate
CAS Number:
162088-91-7
Molecular Formula:
C15H17NO9
Molecular Weight:
355.2968
MDL Number:
MFCD07369587
IUPAC Name:
[(2S,3R,4S,5R)-3-acetyloxy-5-hydroxy-2-(2-nitrophenoxy)oxan-4-yl] acetate
InChI:
InChI=1S/C15H17NO9/c1-8(17)23-13-11(19)7-22-15(14(13)24-9(2)18)25-12-6-4-3-5-10(12)16(20)21/h3-6,11,13-15,19H,7H2,1-2H3/t11-,13+,14-,15+/m1/s1
InChI Key:
OPXWOTRGXPBRCG-BEAPCOKYSA-N
SMILES:
CC(=O)O[C@H]1[C@@H](OC[C@H]([C@@H]1OC(=O)C)O)Oc1ccccc1[N+](=O)[O-]
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
355.09g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
355.299g/mol
Monoisotopic Mass:
355.09g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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