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145107-13-7 | 1,4-Butanediol, 2-(6-amino-9H-purin-9-yl)-, (2R)-
CAS No: 145107-13-7 Catalog No: AG001KKX MDL No:
Product Description
Catalog Number:
AG001KKX
Chemical Name:
1,4-Butanediol, 2-(6-amino-9H-purin-9-yl)-, (2R)-
CAS Number:
145107-13-7
Molecular Formula:
C9H13N5O2
Molecular Weight:
223.2318
IUPAC Name:
2-(6-aminopurin-9-yl)butane-1,4-diol
InChI:
InChI=1S/C9H13N5O2/c10-8-7-9(12-4-11-8)14(5-13-7)6(3-16)1-2-15/h4-6,15-16H,1-3H2,(H2,10,11,12)
InChI Key:
VKKRRDRZIKRXDH-UHFFFAOYSA-N
SMILES:
OCC[C@@H](n1cnc2c1ncnc2N)CO
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.107g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
223.236g/mol
Monoisotopic Mass:
223.107g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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