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68775-04-2

68775-04-2 | 2'-IODO-2'-DEOXYADENOSINE

CAS No: 68775-04-2 Catalog No: AG006H5Q MDL No:

Product Description

Catalog Number:
AG006H5Q
Chemical Name:
2'-IODO-2'-DEOXYADENOSINE
CAS Number:
68775-04-2
Molecular Formula:
C10H12IN5O3
Molecular Weight:
377.1385
IUPAC Name:
(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-iodooxolan-3-ol
InChI:
InChI=1S/C10H12IN5O3/c11-5-7(18)4(1-17)19-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17-18H,1H2,(H2,12,13,14)/t4-,5-,7-,10-/m1/s1
InChI Key:
VGKXEMCICHSUIU-QYYRPYCUSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)I)n1cnc2c1ncnc2N

Properties

Complexity:
338  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
376.998g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
377.142g/mol
Monoisotopic Mass:
376.998g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  

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