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101568-85-8 | 1,3-Propanediol, 2-[1-(6-amino-9H-purin-9-yl)-2-hydroxyethoxy]-
CAS No: 101568-85-8 Catalog No: AG0004TR MDL No:
Product Description
Catalog Number:
AG0004TR
Chemical Name:
1,3-Propanediol, 2-[1-(6-amino-9H-purin-9-yl)-2-hydroxyethoxy]-
CAS Number:
101568-85-8
Molecular Formula:
C10H15N5O4
Molecular Weight:
269.2572
IUPAC Name:
2-[1-(6-aminopurin-9-yl)-2-hydroxyethoxy]propane-1,3-diol
InChI:
InChI=1S/C10H15N5O4/c11-9-8-10(13-4-12-9)15(5-14-8)7(3-18)19-6(1-16)2-17/h4-7,16-18H,1-3H2,(H2,11,12,13)
InChI Key:
BZOVHPRDLVWHRY-UHFFFAOYSA-N
SMILES:
OCC(n1cnc2c1ncnc2N)OC(CO)CO
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.112g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
269.261g/mol
Monoisotopic Mass:
269.112g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.1
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