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Home > Nitro Compounds > 7493-95-0
7493-95-0 | 4-Nitrophenyl a-D-galactopyranoside
CAS No: 7493-95-0 Catalog No: AG005G7Y MDL No:MFCD00065050
Product Description
Catalog Number:
AG005G7Y
Chemical Name:
4-Nitrophenyl a-D-galactopyranoside
CAS Number:
7493-95-0
Molecular Formula:
C12H15NO8
Molecular Weight:
301.2494
MDL Number:
MFCD00065050
IUPAC Name:
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol
InChI:
InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9+,10+,11-,12+/m1/s1
InChI Key:
IFBHRQDFSNCLOZ-IIRVCBMXSA-N
SMILES:
OC[C@H]1O[C@H](Oc2ccc(cc2)[N+](=O)[O-])[C@@H]([C@H]([C@H]1O)O)O
EC Number:
231-343-6
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
301.08g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
301.251g/mol
Monoisotopic Mass:
301.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
145A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Literature
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|---|---|
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| The Arabidopsis At1g45130 and At3g52840 genes encode beta-galactosidases with activity toward cell wall polysaccharides. | Phytochemistry 20080501 |
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