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51108-71-5 | 1-Deoxy-1-(2,3,4,10-tetrahydro-7,8-dimethyl-2,4-dioxopyrimido[5,4-b]quinolin-10-yl)-D-ribitol
CAS No: 51108-71-5 Catalog No: AG00DSGX MDL No:
Product Description
Catalog Number:
AG00DSGX
Chemical Name:
1-Deoxy-1-(2,3,4,10-tetrahydro-7,8-dimethyl-2,4-dioxopyrimido[5,4-b]quinolin-10-yl)-D-ribitol
CAS Number:
51108-71-5
IUPAC Name:
7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-10H-pyrimido[5,4-b]quinoline-2,4-dione
InChI:
InChI=1S/C18H21N3O6/c1-7-3-9-10(5-12(23)16(25)13(24)6-22)14-15(17(26)21-18(27)20-14)19-11(9)4-8(7)2/h3-4,10,12-13,16,22-25H,5-6H2,1-2H3,(H,21,26,27)/t10?,12-,13+,16-/m0/s1
InChI Key:
UQHYPPKFALBYTK-SWBAQPJJSA-N
Properties
Complexity:
678
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
375.143g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
375.381g/mol
Monoisotopic Mass:
375.143g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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