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13039-82-2 | 4(3H)-Pteridinone, 2-amino-6-[(1S,2S)-1,2-dihydroxypropyl]-
CAS No: 13039-82-2 Catalog No: AG000UD5 MDL No:
Product Description
Catalog Number:
AG000UD5
Chemical Name:
4(3H)-Pteridinone, 2-amino-6-[(1S,2S)-1,2-dihydroxypropyl]-
CAS Number:
13039-82-2
Molecular Formula:
C9H11N5O3
Molecular Weight:
237.2153
IUPAC Name:
2-amino-6-[(1S,2S)-1,2-dihydroxypropyl]-3H-pteridin-4-one
InChI:
InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h2-3,6,15-16H,1H3,(H3,10,11,13,14,17)/t3-,6+/m0/s1
InChI Key:
LHQIJBMDNUYRAM-BBIVZNJYSA-N
SMILES:
C[C@@H]([C@H](c1cnc2c(n1)c(=O)[nH]c(n2)N)O)O
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
237.086g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
237.219g/mol
Monoisotopic Mass:
237.086g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.4
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