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25030-04-0 | 5'-Adenylic acid, 7,8-dihydro-8-oxo-
CAS No: 25030-04-0 Catalog No: AG002Q7U MDL No:
Product Description
Catalog Number:
AG002Q7U
Chemical Name:
5'-Adenylic acid, 7,8-dihydro-8-oxo-
CAS Number:
25030-04-0
Molecular Formula:
C10H14N5O8P
Molecular Weight:
363.2206
IUPAC Name:
[(2R,3S,4R,5R)-5-(6-amino-8-oxo-7H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
InChI:
InChI=1S/C10H14N5O8P/c11-7-4-8(13-2-12-7)15(10(18)14-4)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,14,18)(H2,11,12,13)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1
InChI Key:
JPZDUYBDBSYCDZ-UUOKFMHZSA-N
SMILES:
O[C@@H]1[C@H](O)[C@H](O[C@H]1n1c(=O)[nH]c2c1ncnc2N)COP(=O)(O)O
Properties
Complexity:
547
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
363.058g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
363.223g/mol
Monoisotopic Mass:
363.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
201A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.1
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