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Home > Nitro Compounds > 70867-33-3
70867-33-3 | b-D-Glucopyranoside, 2-nitrophenyl 4-O-b-D-glucopyranosyl-
CAS No: 70867-33-3 Catalog No: AG00IC40 MDL No:MFCD00133678
Product Description
Catalog Number:
AG00IC40
Chemical Name:
b-D-Glucopyranoside, 2-nitrophenyl 4-O-b-D-glucopyranosyl-
CAS Number:
70867-33-3
MDL Number:
MFCD00133678
IUPAC Name:
(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(2-nitrophenoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
InChI:
InChI=1S/C18H25NO13/c20-5-9-11(22)12(23)14(25)18(30-9)32-16-10(6-21)31-17(15(26)13(16)24)29-8-4-2-1-3-7(8)19(27)28/h1-4,9-18,20-26H,5-6H2/t9-,10-,11-,12+,13-,14-,15-,16-,17-,18+/m1/s1
InChI Key:
CYCLRDYAFVRUDE-KFRZSCGFSA-N
Properties
Complexity:
620
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
10
Defined Bond Stereocenter Count:
0
Exact Mass:
463.133g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
463.392g/mol
Monoisotopic Mass:
463.133g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
224A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.6
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