Home Aminos β-D-Glucopyranoside, 4-nitrophenyl 2-(acetylamino)-2-deoxy-4-O-(6-deoxy-α-L-galactopyranosyl)-

β-D-Glucopyranoside, 4-nitrophenyl 2-(acetylamino)-2-deoxy-4-O-(6-deoxy-α-L-galactopyranosyl)-

CAS No.:
259143-52-7
Catalog Number:
AG002R1D
Molecular Formula:
C20H28N2O12
Molecular Weight:
488.4425
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Product Description
Catalog Number:
AG002R1D
Chemical Name:
β-D-Glucopyranoside, 4-nitrophenyl 2-(acetylamino)-2-deoxy-4-O-(6-deoxy-α-L-galactopyranosyl)-
CAS Number:
259143-52-7
Molecular Formula:
C20H28N2O12
Molecular Weight:
488.4425
MDL Number:
MFCD07369573
IUPAC Name:
N-[(2S,3R,4R,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide
InChI:
InChI=1S/C20H28N2O12/c1-8-14(25)16(27)17(28)20(31-8)34-18-12(7-23)33-19(13(15(18)26)21-9(2)24)32-11-5-3-10(4-6-11)22(29)30/h3-6,8,12-20,23,25-28H,7H2,1-2H3,(H,21,24)/t8-,12+,13+,14+,15+,16+,17-,18+,19+,20-/m0/s1
InChI Key:
JQGZMRCVWYGGHU-PIRDJKQGSA-N
SMILES:
OC[C@H]1O[C@@H](Oc2ccc(cc2)[N+](=O)[O-])[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@H]([C@H]([C@@H]1O)O)O)O)NC(=O)C
Properties
Complexity:
700  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
10  
Defined Bond Stereocenter Count:
0
Exact Mass:
488.164g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
488.446g/mol
Monoisotopic Mass:
488.164g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
213A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.1  
Properties