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369-07-3

369-07-3 | b-D-Galactopyranoside, 2-nitrophenyl

CAS No: 369-07-3 Catalog No: AG00I7AV MDL No:MFCD00063255

Product Description

Catalog Number:
AG00I7AV
Chemical Name:
b-D-Galactopyranoside, 2-nitrophenyl
CAS Number:
369-07-3
Molecular Formula:
C12H15NO8
Molecular Weight:
301.2494
MDL Number:
MFCD00063255
IUPAC Name:
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(2-nitrophenoxy)oxane-3,4,5-triol
InChI:
InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-4-2-1-3-6(7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9+,10+,11-,12-/m1/s1
InChI Key:
KUWPCJHYPSUOFW-YBXAARCKSA-N
SMILES:
OC[C@H]1O[C@@H](Oc2ccccc2[N+](=O)[O-])[C@@H]([C@H]([C@H]1O)O)O

Properties

Complexity:
362  
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:
-1.2  

Literature

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