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Home > Nitro Compounds > 10238-27-4
10238-27-4 | β-D-Xylopyranoside, 2-nitrophenyl
CAS No: 10238-27-4 Catalog No: AG0007BH MDL No:MFCD00047515
Product Description
Catalog Number:
AG0007BH
Chemical Name:
β-D-Xylopyranoside, 2-nitrophenyl
CAS Number:
10238-27-4
Molecular Formula:
C11H13NO7
Molecular Weight:
271.2234
MDL Number:
MFCD00047515
IUPAC Name:
(2S,3R,4S,5R)-2-(2-nitrophenoxy)oxane-3,4,5-triol
InChI:
InChI=1S/C11H13NO7/c13-7-5-18-11(10(15)9(7)14)19-8-4-2-1-3-6(8)12(16)17/h1-4,7,9-11,13-15H,5H2/t7-,9+,10-,11+/m1/s1
InChI Key:
YPQCLGUTGDQYNI-DQDDRIPDSA-N
SMILES:
O[C@@H]1CO[C@H]([C@@H]([C@H]1O)O)Oc1ccccc1[N+](=O)[O-]
EC Number:
233-571-1
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
271.069g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
271.225g/mol
Monoisotopic Mass:
271.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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