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89760-72-5 | 1,2-Propanediol, 3-[3-(6-amino-9H-purin-9-yl)-2-hydroxypropoxy]-
CAS No: 89760-72-5 Catalog No: AG003ZRV MDL No:
Product Description
Catalog Number:
AG003ZRV
Chemical Name:
1,2-Propanediol, 3-[3-(6-amino-9H-purin-9-yl)-2-hydroxypropoxy]-
CAS Number:
89760-72-5
Molecular Formula:
C11H17N5O4
Molecular Weight:
283.2838
IUPAC Name:
3-[3-(6-aminopurin-9-yl)-2-hydroxypropoxy]propane-1,2-diol
InChI:
InChI=1S/C11H17N5O4/c12-10-9-11(14-5-13-10)16(6-15-9)1-7(18)3-20-4-8(19)2-17/h5-8,17-19H,1-4H2,(H2,12,13,14)
InChI Key:
NNZPWHOBIIIIPY-UHFFFAOYSA-N
SMILES:
OCC(COCC(Cn1cnc2c1ncnc2N)O)O
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.128g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
283.288g/mol
Monoisotopic Mass:
283.128g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2
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