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89419-12-5 | 1-Propanol, 3-amino-2-[(6-amino-9H-purin-9-yl)methoxy]-
CAS No: 89419-12-5 Catalog No: AG0044T8 MDL No:
Product Description
Catalog Number:
AG0044T8
Chemical Name:
1-Propanol, 3-amino-2-[(6-amino-9H-purin-9-yl)methoxy]-
CAS Number:
89419-12-5
Molecular Formula:
C9H14N6O2
Molecular Weight:
238.2465
IUPAC Name:
3-amino-2-[(6-aminopurin-9-yl)methoxy]propan-1-ol
InChI:
InChI=1S/C9H14N6O2/c10-1-6(2-16)17-5-15-4-14-7-8(11)12-3-13-9(7)15/h3-4,6,16H,1-2,5,10H2,(H2,11,12,13)
InChI Key:
LDUDUWCCNILRAE-UHFFFAOYSA-N
SMILES:
NCC(OCn1cnc2c1ncnc2N)CO
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.118g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
238.251g/mol
Monoisotopic Mass:
238.118g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
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