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143740-73-2

143740-73-2 | Adenosine, 2'-deoxy-7,8-dihydro-N-methyl-8-oxo- (9CI)

CAS No: 143740-73-2 Catalog No: AG001IBI MDL No:

Product Description

Catalog Number:
AG001IBI
Chemical Name:
Adenosine, 2'-deoxy-7,8-dihydro-N-methyl-8-oxo- (9CI)
CAS Number:
143740-73-2
Molecular Formula:
C11H15N5O4
Molecular Weight:
281.2679
IUPAC Name:
9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(methylamino)-7H-purin-8-one
InChI:
InChI=1S/C11H15N5O4/c1-12-9-8-10(14-4-13-9)16(11(19)15-8)7-2-5(18)6(3-17)20-7/h4-7,17-18H,2-3H2,1H3,(H,15,19)(H,12,13,14)/t5-,6+,7+/m0/s1
InChI Key:
YWYMAEFHIYDZEP-RRKCRQDMSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1c(=O)[nH]c2c1ncnc2NC

Properties

Complexity:
384  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
281.112g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
281.272g/mol
Monoisotopic Mass:
281.112g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  

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