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89419-25-0 | 1,3-Propanediol, 2-[(2-amino-6-chloro-9H-purin-9-yl)methoxy]-
CAS No: 89419-25-0 Catalog No: AG0043PD MDL No:
Product Description
Catalog Number:
AG0043PD
Chemical Name:
1,3-Propanediol, 2-[(2-amino-6-chloro-9H-purin-9-yl)methoxy]-
CAS Number:
89419-25-0
Molecular Formula:
C9H12ClN5O3
Molecular Weight:
273.6763
IUPAC Name:
2-[(2-amino-6-chloropurin-9-yl)methoxy]propane-1,3-diol
InChI:
InChI=1S/C9H12ClN5O3/c10-7-6-8(14-9(11)13-7)15(3-12-6)4-18-5(1-16)2-17/h3,5,16-17H,1-2,4H2,(H2,11,13,14)
InChI Key:
WVIKNNBFRIACOB-UHFFFAOYSA-N
SMILES:
OCC(OCn1cnc2c1nc(N)nc2Cl)CO
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.063g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
273.677g/mol
Monoisotopic Mass:
273.063g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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