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123062-34-0 | 1,2,3-Propanetriol, 2-[(6-amino-9H-purin-9-yl)methyl]-
CAS No: 123062-34-0 Catalog No: AG000K0B MDL No:
Product Description
Catalog Number:
AG000K0B
Chemical Name:
1,2,3-Propanetriol, 2-[(6-amino-9H-purin-9-yl)methyl]-
CAS Number:
123062-34-0
Molecular Formula:
C9H13N5O3
Molecular Weight:
239.2312
IUPAC Name:
2-[(6-aminopurin-9-yl)methyl]propane-1,2,3-triol
InChI:
InChI=1S/C9H13N5O3/c10-7-6-8(12-4-11-7)14(5-13-6)1-9(17,2-15)3-16/h4-5,15-17H,1-3H2,(H2,10,11,12)
InChI Key:
WQAFYWATYVUPBH-UHFFFAOYSA-N
SMILES:
OCC(Cn1cnc2c1ncnc2N)(CO)O
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.102g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
239.235g/mol
Monoisotopic Mass:
239.102g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3
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