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53403-97-7 | pyridofylline
CAS No: 53403-97-7 Catalog No: AG00E3J9 MDL No:
Product Description
Catalog Number:
AG00E3J9
Chemical Name:
pyridofylline
CAS Number:
53403-97-7
IUPAC Name:
4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl hydrogen sulfate
InChI:
InChI=1S/C9H12N4O6S.C8H11NO3/c1-11-7-6(8(14)12(2)9(11)15)13(5-10-7)3-4-19-20(16,17)18;1-5-8(12)7(4-11)6(3-10)2-9-5/h5H,3-4H2,1-2H3,(H,16,17,18);2,10-12H,3-4H2,1H3
InChI Key:
WXFJHNDXYIDTAF-UHFFFAOYSA-N
EC Number:
258-521-6
UNII:
W9CI6CR77M
Properties
Complexity:
659
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
473.122g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
473.457g/mol
Monoisotopic Mass:
473.122g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
204A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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