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210418-06-7 | β-D-Glucopyranoside, 4-nitrophenyl 2-(acetylamino)-2-deoxy-, 6-(hydrogen sulfate), monopotassium salt (9CI)
CAS No: 210418-06-7 Catalog No: AG002KRU MDL No:
Product Description
Catalog Number:
AG002KRU
Chemical Name:
β-D-Glucopyranoside, 4-nitrophenyl 2-(acetylamino)-2-deoxy-, 6-(hydrogen sulfate), monopotassium salt (9CI)
CAS Number:
210418-06-7
IUPAC Name:
potassium;[5-acetamido-3,4-dihydroxy-6-(4-nitrophenoxy)oxan-2-yl]methyl sulfate
InChI:
InChI=1S/C14H18N2O11S.K/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);/q;+1/p-1
InChI Key:
OWFVRPVXAZQCAE-UHFFFAOYSA-M
Properties
Complexity:
660
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
460.019g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
460.451g/mol
Monoisotopic Mass:
460.019g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
209A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
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