Home Other Building Blocks 2',3',5'-Tri-o-acetyladenosine

2',3',5'-Tri-o-acetyladenosine

CAS No.:
7387-57-7
Catalog Number:
AG003FFI
Molecular Formula:
C16H19N5O7
Molecular Weight:
393.3514
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Product Description
Catalog Number:
AG003FFI
Chemical Name:
2',3',5'-Tri-o-acetyladenosine
CAS Number:
7387-57-7
Molecular Formula:
C16H19N5O7
Molecular Weight:
393.3514
MDL Number:
MFCD00057001
IUPAC Name:
[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl acetate
InChI:
InChI=1S/C16H19N5O7/c1-7(22)25-4-10-12(26-8(2)23)13(27-9(3)24)16(28-10)21-6-20-11-14(17)18-5-19-15(11)21/h5-6,10,12-13,16H,4H2,1-3H3,(H2,17,18,19)/t10-,12-,13-,16-/m1/s1
InChI Key:
GCVZNVTXNUTBFB-XNIJJKJLSA-N
SMILES:
CC(=O)O[C@@H]1[C@H](OC(=O)C)[C@H](O[C@H]1n1cnc2c1ncnc2N)COC(=O)C
Properties
Complexity:
620  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
393.128g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
393.356g/mol
Monoisotopic Mass:
393.128g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Literature
Title Journal
Phthalocyanine-based molecularly imprinted polymers as nucleoside receptors. Metal-based drugs 20080101
Nucleic acid related compounds. 118. Nonaqueous diazotization of aminopurine derivatives. Convenient access to 6-halo- and 2,6-dihalopurine nucleosides and 2'-deoxynucleosides with acyl or silyl halides. The Journal of organic chemistry 20030124
Properties