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158555-06-7 | Adenosine, 8-(2-thienyl)-
CAS No: 158555-06-7 Catalog No: AG001QA6 MDL No:
Product Description
Catalog Number:
AG001QA6
Chemical Name:
Adenosine, 8-(2-thienyl)-
CAS Number:
158555-06-7
Molecular Formula:
C14H15N5O4S
Molecular Weight:
349.3650
IUPAC Name:
(2R,3R,4S,5R)-2-(6-amino-8-thiophen-2-ylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
InChI:
InChI=1S/C14H15N5O4S/c15-11-8-13(17-5-16-11)19(12(18-8)7-2-1-3-24-7)14-10(22)9(21)6(4-20)23-14/h1-3,5-6,9-10,14,20-22H,4H2,(H2,15,16,17)/t6-,9-,10-,14-/m1/s1
InChI Key:
LMNBPJQPSDYDKY-GUSNPEKLSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c(nc2c1ncnc2N)c1cccs1
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
349.084g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
349.365g/mol
Monoisotopic Mass:
349.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
168A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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