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17318-18-2 | Adenosine, 2'-deoxy-7,8-dihydro-8-thioxo-
CAS No: 17318-18-2 Catalog No: AG001YOO MDL No:
Product Description
Catalog Number:
AG001YOO
Chemical Name:
Adenosine, 2'-deoxy-7,8-dihydro-8-thioxo-
CAS Number:
17318-18-2
Molecular Formula:
C10H13N5O3S
Molecular Weight:
283.3069
IUPAC Name:
6-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-8-thione
InChI:
InChI=1S/C10H13N5O3S/c11-8-7-9(13-3-12-8)15(10(19)14-7)6-1-4(17)5(2-16)18-6/h3-6,16-17H,1-2H2,(H,14,19)(H2,11,12,13)/t4-,5+,6+/m0/s1
InChI Key:
HPCFWPYIEBKPPY-KVQBGUIXSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1c(=S)[nH]c2c1ncnc2N
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
283.074g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
283.306g/mol
Monoisotopic Mass:
283.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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