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206184-66-9 | 4(3H)-Pteridinone, 2-methoxy-3-methyl-7-[(1S,2S)-1,2,3-trihydroxypropyl]-
CAS No: 206184-66-9 Catalog No: AG002AK0 MDL No:
Product Description
Catalog Number:
AG002AK0
Chemical Name:
4(3H)-Pteridinone, 2-methoxy-3-methyl-7-[(1S,2S)-1,2,3-trihydroxypropyl]-
CAS Number:
206184-66-9
Molecular Formula:
C11H14N4O5
Molecular Weight:
282.2527
IUPAC Name:
2-methoxy-3-methyl-7-[(1S,2S)-1,2,3-trihydroxypropyl]pteridin-4-one
InChI:
InChI=1S/C11H14N4O5/c1-15-10(19)7-9(14-11(15)20-2)13-5(3-12-7)8(18)6(17)4-16/h3,6,8,16-18H,4H2,1-2H3/t6-,8-/m0/s1
InChI Key:
ZMKXNUAQSJMCTP-XPUUQOCRSA-N
SMILES:
OC[C@@H]([C@H](c1cnc2c(n1)nc(n(c2=O)C)OC)O)O
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
282.096g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
282.256g/mol
Monoisotopic Mass:
282.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3
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