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130469-39-5

130469-39-5 | Adenosine, 2',3'-dideoxy-2'-(hydroxymethyl)- (9CI)

CAS No: 130469-39-5 Catalog No: AG000UG5 MDL No:

Product Description

Catalog Number:
AG000UG5
Chemical Name:
Adenosine, 2',3'-dideoxy-2'-(hydroxymethyl)- (9CI)
CAS Number:
130469-39-5
Molecular Formula:
C11H15N5O3
Molecular Weight:
265.2685
IUPAC Name:
[(2R,3S,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]methanol
InChI:
InChI=1S/C11H15N5O3/c12-9-8-10(14-4-13-9)16(5-15-8)11-6(2-17)1-7(3-18)19-11/h4-7,11,17-18H,1-3H2,(H2,12,13,14)/t6-,7-,11+/m0/s1
InChI Key:
SIRHZFXKEYTDJL-OKTBNZSVSA-N
SMILES:
OC[C@@H]1C[C@H](O[C@H]1n1cnc2c1ncnc2N)CO

Properties

Complexity:
321  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
265.117g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
265.273g/mol
Monoisotopic Mass:
265.117g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1  

Literature

Title Journal
A ring-enlarged oxetanocin A analogue as an inhibitor of HIV infectivity. Journal of medicinal chemistry 19910101

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