Home Nitros α-D-Glucopyranoside, 4-nitrophenyl 2-O-α-D-glucopyranosyl-

α-D-Glucopyranoside, 4-nitrophenyl 2-O-α-D-glucopyranosyl-

CAS No.:
147103-31-9
Catalog Number:
AG001EM4
Molecular Formula:
C18H25NO13
Molecular Weight:
463.3900
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Product Description
Catalog Number:
AG001EM4
Chemical Name:
α-D-Glucopyranoside, 4-nitrophenyl 2-O-α-D-glucopyranosyl-
CAS Number:
147103-31-9
Molecular Formula:
C18H25NO13
Molecular Weight:
463.3900
MDL Number:
MFCD07369592
IUPAC Name:
(2R,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
InChI:
InChI=1S/C18H25NO13/c20-5-9-11(22)13(24)15(26)17(30-9)32-16-14(25)12(23)10(6-21)31-18(16)29-8-3-1-7(2-4-8)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:
ZGWCYKZKLZNQQX-TXSAWVTMSA-N
SMILES:
OC[C@H]1O[C@H](Oc2ccc(cc2)[N+](=O)[O-])[C@@H]([C@H]([C@@H]1O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
Properties
Complexity:
612  
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  
Properties