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Home Halogens (2R,3R,4S,5R)-2-(2-amino-8-bromo-6-hydroxy-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

(2R,3R,4S,5R)-2-(2-amino-8-bromo-6-hydroxy-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

CAS No.:
4016-63-1
Catalog Number:
AG00I7VO
Molecular Formula:
C10H12BrN5O5
Molecular Weight:
362.1368
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$13
- +
5g
95%
In Stock USA
United States
$32
- +
25g
95%
In Stock USA
United States
$113
- +
100g
95%
In Stock USA
United States
$350
- +
Product Description
Catalog Number:
AG00I7VO
Chemical Name:
(2R,3R,4S,5R)-2-(2-amino-8-bromo-6-hydroxy-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CAS Number:
4016-63-1
Molecular Formula:
C10H12BrN5O5
Molecular Weight:
362.1368
MDL Number:
MFCD00150531
IUPAC Name:
2-amino-8-bromo-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
InChI:
InChI=1S/C10H12BrN5O5/c11-9-13-3-6(14-10(12)15-7(3)20)16(9)8-5(19)4(18)2(1-17)21-8/h2,4-5,8,17-19H,1H2,(H3,12,14,15,20)/t2-,4-,5-,8-/m1/s1
InChI Key:
ASUCSHXLTWZYBA-UMMCILCDSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c(Br)nc2c1nc(N)[nH]c2=O
EC Number:
223-677-6
Properties
Complexity:
479  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
361.002g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
362.14g/mol
Monoisotopic Mass:
361.002g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
155A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  
Literature
Title Journal
Structure-based design of DevR inhibitor active against nonreplicating Mycobacterium tuberculosis. Journal of medicinal chemistry 20091022
Time-resolved resonance Raman investigation of the 2-fluorenylnitrenium ion reactions with C8 guanosine derivatives. The journal of physical chemistry. B 20071108
Properties