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122970-32-5 | Adenosine, 2',3'-dideoxy-2-(methylthio)- (9CI)
CAS No: 122970-32-5 Catalog No: AG000JUL MDL No:
Product Description
Catalog Number:
AG000JUL
Chemical Name:
Adenosine, 2',3'-dideoxy-2-(methylthio)- (9CI)
CAS Number:
122970-32-5
Molecular Formula:
C11H15N5O2S
Molecular Weight:
281.3341
IUPAC Name:
[(2S,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)oxolan-2-yl]methanol
InChI:
InChI=1S/C11H15N5O2S/c1-19-11-14-9(12)8-10(15-11)16(5-13-8)7-3-2-6(4-17)18-7/h5-7,17H,2-4H2,1H3,(H2,12,14,15)/t6-,7+/m0/s1
InChI Key:
FUAQAWBOOQNDQR-NKWVEPMBSA-N
SMILES:
OC[C@@H]1CC[C@@H](O1)n1cnc2c1nc(SC)nc2N
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
281.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
281.334g/mol
Monoisotopic Mass:
281.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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