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Home > Nitro Compounds > 80095-44-9
80095-44-9 | 4-Nitrophenyl 2-acetamido-2-deoxy-b-D-glucopyranoside-6-sulfate potassium salt
CAS No: 80095-44-9 Catalog No: AG005OWW MDL No:MFCD00083673
Product Description
Catalog Number:
AG005OWW
Chemical Name:
4-Nitrophenyl 2-acetamido-2-deoxy-b-D-glucopyranoside-6-sulfate potassium salt
CAS Number:
80095-44-9
Molecular Formula:
C14H17KN2O11S
Molecular Weight:
460.4549
MDL Number:
MFCD00083673
IUPAC Name:
[(2R,3S,4R,5R,6S)-5-acetamido-3,4-dihydroxy-6-(4-nitrophenoxy)oxan-2-yl]methyl hydrogen sulfate
InChI:
InChI=1S/C14H18N2O11S/c1-7(17)15-11-13(19)12(18)10(6-25-28(22,23)24)27-14(11)26-9-4-2-8(3-5-9)16(20)21/h2-5,10-14,18-19H,6H2,1H3,(H,15,17)(H,22,23,24)/t10-,11-,12-,13-,14-/m1/s1
InChI Key:
UGJNMWVITHXKNR-DHGKCCLASA-N
SMILES:
CC(=O)NC1C(OC(C(C1O)O)COS(=O)(=O)[O-])Oc1ccc(cc1)[N+](=O)[O-].[K+]
Properties
Complexity:
653
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
422.063g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
422.361g/mol
Monoisotopic Mass:
422.063g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
206A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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