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123205-51-6 | 1,2-Octanediol, 2-[(6-amino-9H-purin-9-yl)methyl]-
CAS No: 123205-51-6 Catalog No: AG000K63 MDL No:
Product Description
Catalog Number:
AG000K63
Chemical Name:
1,2-Octanediol, 2-[(6-amino-9H-purin-9-yl)methyl]-
CAS Number:
123205-51-6
Molecular Formula:
C14H23N5O2
Molecular Weight:
293.3647
IUPAC Name:
2-[(6-aminopurin-9-yl)methyl]octane-1,2-diol
InChI:
InChI=1S/C14H23N5O2/c1-2-3-4-5-6-14(21,8-20)7-19-10-18-11-12(15)16-9-17-13(11)19/h9-10,20-21H,2-8H2,1H3,(H2,15,16,17)
InChI Key:
SJGAJHSGKQPTHF-UHFFFAOYSA-N
SMILES:
CCCCCCC(Cn1cnc2c1ncnc2N)(CO)O
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.185g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
293.371g/mol
Monoisotopic Mass:
293.185g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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