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101512-30-5 | Adenosine, 5'-S-[4-(aminooxy)butyl]-5'-thio- (9CI)
CAS No: 101512-30-5 Catalog No: AG0004OA MDL No:
Product Description
Catalog Number:
AG0004OA
Chemical Name:
Adenosine, 5'-S-[4-(aminooxy)butyl]-5'-thio- (9CI)
CAS Number:
101512-30-5
Molecular Formula:
C14H22N6O4S
Molecular Weight:
370.4273
IUPAC Name:
2-(4-aminooxybutylsulfanylmethyl)-5-(6-aminopurin-9-yl)oxolane-3,4-diol
InChI:
InChI=1S/C14H22N6O4S/c15-12-9-13(18-6-17-12)20(7-19-9)14-11(22)10(21)8(24-14)5-25-4-2-1-3-23-16/h6-8,10-11,14,21-22H,1-5,16H2,(H2,15,17,18)
InChI Key:
NADNOEDEBZYVAF-UHFFFAOYSA-N
SMILES:
NOCCCCSC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.142g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
370.428g/mol
Monoisotopic Mass:
370.142g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
180A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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