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132638-52-9

132638-52-9 | Adenosine, 2-(2-methylpropyl)- (9CI)

CAS No: 132638-52-9 Catalog No: AG0010XC MDL No:

Product Description

Catalog Number:
AG0010XC
Chemical Name:
Adenosine, 2-(2-methylpropyl)- (9CI)
CAS Number:
132638-52-9
Molecular Formula:
C14H21N5O4
Molecular Weight:
323.3476
IUPAC Name:
(2R,3R,4S,5R)-2-[6-amino-2-(2-methylpropyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
InChI:
InChI=1S/C14H21N5O4/c1-6(2)3-8-17-12(15)9-13(18-8)19(5-16-9)14-11(22)10(21)7(4-20)23-14/h5-7,10-11,14,20-22H,3-4H2,1-2H3,(H2,15,17,18)/t7-,10-,11-,14-/m1/s1
InChI Key:
JHOZQWHQEVTLAV-FRJWGUMJSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(CC(C)C)nc2N

Properties

Complexity:
415  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
323.159g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
323.353g/mol
Monoisotopic Mass:
323.159g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

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