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162088-90-6 | β-D-Xylopyranoside, 2-nitrophenyl 4-O-(triethylsilyl)-, 2,3-diacetate
CAS No: 162088-90-6 Catalog No: AG001SQ3 MDL No:MFCD07369588
Product Description
Catalog Number:
AG001SQ3
Chemical Name:
β-D-Xylopyranoside, 2-nitrophenyl 4-O-(triethylsilyl)-, 2,3-diacetate
CAS Number:
162088-90-6
Molecular Formula:
C21H31NO9Si
Molecular Weight:
469.5576
MDL Number:
MFCD07369588
IUPAC Name:
[3-acetyloxy-2-(2-nitrophenoxy)-5-triethylsilyloxyoxan-4-yl] acetate
InChI:
InChI=1S/C21H31NO9Si/c1-6-32(7-2,8-3)31-18-13-27-21(20(29-15(5)24)19(18)28-14(4)23)30-17-12-10-9-11-16(17)22(25)26/h9-12,18-21H,6-8,13H2,1-5H3
InChI Key:
BFEHWXCZKFZQCB-UHFFFAOYSA-N
SMILES:
CC[Si](O[C@@H]1CO[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)Oc1ccccc1[N+](=O)[O-])(CC)CC
Properties
Complexity:
643
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
469.177g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
469.562g/mol
Monoisotopic Mass:
469.177g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
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