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114300-71-9

114300-71-9 | Guanosine, 2'-deoxy-N-phenyl- (9CI)

CAS No: 114300-71-9 Catalog No: AG000B1P MDL No:

Product Description

Catalog Number:
AG000B1P
Chemical Name:
Guanosine, 2'-deoxy-N-phenyl- (9CI)
CAS Number:
114300-71-9
Molecular Formula:
C16H17N5O4
Molecular Weight:
343.3373
IUPAC Name:
2-anilino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
InChI:
InChI=1S/C16H17N5O4/c22-7-11-10(23)6-12(25-11)21-8-17-13-14(21)19-16(20-15(13)24)18-9-4-2-1-3-5-9/h1-5,8,10-12,22-23H,6-7H2,(H2,18,19,20,24)/t10-,11+,12+/m0/s1
InChI Key:
WGYVNLWYYLACQQ-QJPTWQEYSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1nc(Nc1ccccc1)[nH]c2=O

Properties

Complexity:
539  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
343.128g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
343.343g/mol
Monoisotopic Mass:
343.128g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

Literature

Title Journal
N(2)-phenyldeoxyguanosine: modulation of the chemical properties of deoxyguanosine toward one-electron oxidation in DNA. Journal of the American Chemical Society 20020619
Synthesis, properties, and pharmacokinetic studies of N2-phenylguanine derivatives as inhibitors of herpes simplex virus thymidine kinases. Journal of medicinal chemistry 19950106

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