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13264-92-1 | β-D-Glucopyranoside, 2-nitrophenyl 2-(acetylamino)-2-deoxy-
CAS No: 13264-92-1 Catalog No: AG0010XR MDL No:MFCD00067648
Product Description
Catalog Number:
AG0010XR
Chemical Name:
β-D-Glucopyranoside, 2-nitrophenyl 2-(acetylamino)-2-deoxy-
CAS Number:
13264-92-1
Molecular Formula:
C14H18N2O8
Molecular Weight:
342.3013
MDL Number:
MFCD00067648
IUPAC Name:
N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-nitrophenoxy)oxan-3-yl]acetamide
InChI:
InChI=1S/C14H18N2O8/c1-7(18)15-11-13(20)12(19)10(6-17)24-14(11)23-9-5-3-2-4-8(9)16(21)22/h2-5,10-14,17,19-20H,6H2,1H3,(H,15,18)/t10-,11-,12-,13-,14-/m1/s1
InChI Key:
PXMQUEGJJUADKD-DHGKCCLASA-N
SMILES:
OC[C@H]1O[C@@H](Oc2ccccc2[N+](=O)[O-])[C@@H]([C@H]([C@@H]1O)O)NC(=O)C
EC Number:
236-258-8
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
342.106g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
342.304g/mol
Monoisotopic Mass:
342.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
154A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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