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14062-45-4 | Adenosine, 4'-acetamido-4'-deoxy- (8CI)
CAS No: 14062-45-4 Catalog No: AG001CL6 MDL No:
Product Description
Catalog Number:
AG001CL6
Chemical Name:
Adenosine, 4'-acetamido-4'-deoxy- (8CI)
CAS Number:
14062-45-4
Molecular Formula:
C12H16N6O4
Molecular Weight:
308.2932
IUPAC Name:
1-[2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-1-yl]ethanone
InChI:
InChI=1S/C12H16N6O4/c1-5(20)18-6(2-19)8(21)9(22)12(18)17-4-16-7-10(13)14-3-15-11(7)17/h3-4,6,8-9,12,19,21-22H,2H2,1H3,(H2,13,14,15)
InChI Key:
LHLODVQMOGVFMU-UHFFFAOYSA-N
SMILES:
OCC1C(O)C(C(N1C(=O)C)n1cnc2c1ncnc2N)O
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.123g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
308.298g/mol
Monoisotopic Mass:
308.123g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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