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101565-80-4 | Adenosine, N-[2-(3-thienyl)ethyl]- (9CI)
CAS No: 101565-80-4 Catalog No: AG0004U2 MDL No:
Product Description
Catalog Number:
AG0004U2
Chemical Name:
Adenosine, N-[2-(3-thienyl)ethyl]- (9CI)
CAS Number:
101565-80-4
Molecular Formula:
C16H19N5O4S
Molecular Weight:
377.4182
IUPAC Name:
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(2-thiophen-3-ylethylamino)purin-9-yl]oxolane-3,4-diol
InChI:
InChI=1S/C16H19N5O4S/c22-5-10-12(23)13(24)16(25-10)21-8-20-11-14(18-7-19-15(11)21)17-3-1-9-2-4-26-6-9/h2,4,6-8,10,12-13,16,22-24H,1,3,5H2,(H,17,18,19)/t10-,12-,13-,16-/m1/s1
InChI Key:
ICWJJMYDWRZACR-XNIJJKJLSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCCc1cscc1
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
377.116g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
377.419g/mol
Monoisotopic Mass:
377.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
154A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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