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Home > Other Building Blocks > 14114-64-8
14114-64-8 | 5'-Adenylic acid, N-acetyl- (6CI,9CI)
CAS No: 14114-64-8 Catalog No: AG001FZJ MDL No:
Product Description
Catalog Number:
AG001FZJ
Chemical Name:
5'-Adenylic acid, N-acetyl- (6CI,9CI)
CAS Number:
14114-64-8
Molecular Formula:
C12H16N5O8P
Molecular Weight:
389.2579
IUPAC Name:
[(2R,3S,4R,5R)-5-(6-acetamidopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
InChI:
InChI=1S/C12H16N5O8P/c1-5(18)16-10-7-11(14-3-13-10)17(4-15-7)12-9(20)8(19)6(25-12)2-24-26(21,22)23/h3-4,6,8-9,12,19-20H,2H2,1H3,(H2,21,22,23)(H,13,14,16,18)/t6-,8-,9-,12-/m1/s1
InChI Key:
HEIJLJLFABINGL-WOUKDFQISA-N
SMILES:
CC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(O)O
Properties
Complexity:
578
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
389.074g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
389.261g/mol
Monoisotopic Mass:
389.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
189A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.7
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