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936945-09-4

936945-09-4 | 3-(Ethoxycarbonyl)-1-(2,3,5-tri-O-acetyl-β-D-ribofuranosyl)-pyridiniuM Triflate

CAS No: 936945-09-4 Catalog No: AG00GXAJ MDL No:

Product Description

Catalog Number:
AG00GXAJ
Chemical Name:
3-(Ethoxycarbonyl)-1-(2,3,5-tri-O-acetyl-β-D-ribofuranosyl)-pyridiniuM Triflate
CAS Number:
936945-09-4
IUPAC Name:
ethyl 1-[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]pyridin-1-ium-3-carboxylate;trifluoromethanesulfonate
InChI:
InChI=1S/C19H24NO9.CHF3O3S/c1-5-25-19(24)14-7-6-8-20(9-14)18-17(28-13(4)23)16(27-12(3)22)15(29-18)10-26-11(2)21;2-1(3,4)8(5,6)7/h6-9,15-18H,5,10H2,1-4H3;(H,5,6,7)/q+1;/p-1/t15-,16-,17-,18-;/m1./s1
InChI Key:
NBGMPVWBWQHMLI-URRBJENISA-M

Properties

Complexity:
767  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
559.097g/mol
Formal Charge:
0
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
15  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
559.462g/mol
Monoisotopic Mass:
559.097g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
184A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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