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29217-90-1 | Adenosine, 2-amino-N-phenyl- (9CI)
CAS No: 29217-90-1 Catalog No: AG002XR2 MDL No:
Product Description
Catalog Number:
AG002XR2
Chemical Name:
Adenosine, 2-amino-N-phenyl- (9CI)
CAS Number:
29217-90-1
Molecular Formula:
C16H18N6O4
Molecular Weight:
358.3519
IUPAC Name:
2-(2-amino-6-anilinopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
InChI:
InChI=1S/C16H18N6O4/c17-16-20-13(19-8-4-2-1-3-5-8)10-14(21-16)22(7-18-10)15-12(25)11(24)9(6-23)26-15/h1-5,7,9,11-12,15,23-25H,6H2,(H3,17,19,20,21)
InChI Key:
LEWFGSPJXBHOOO-UHFFFAOYSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(N)nc2Nc1ccccc1
NSC Number:
327925
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.139g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
358.358g/mol
Monoisotopic Mass:
358.139g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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