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136859-76-2

136859-76-2 | Guanosine, 2'-deoxy-7,8-dihydro-N-(2-methyl-1-oxopropyl)-8-oxo- (9CI)

CAS No: 136859-76-2 Catalog No: AG0012HF MDL No:

Product Description

Catalog Number:
AG0012HF
Chemical Name:
Guanosine, 2'-deoxy-7,8-dihydro-N-(2-methyl-1-oxopropyl)-8-oxo- (9CI)
CAS Number:
136859-76-2
Molecular Formula:
C14H19N5O6
Molecular Weight:
353.3306
IUPAC Name:
N-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,8-dioxo-1,7-dihydropurin-2-yl]-2-methylpropanamide
InChI:
InChI=1S/C14H19N5O6/c1-5(2)11(22)17-13-16-10-9(12(23)18-13)15-14(24)19(10)8-3-6(21)7(4-20)25-8/h5-8,20-21H,3-4H2,1-2H3,(H,15,24)(H2,16,17,18,22,23)/t6-,7+,8+/m0/s1
InChI Key:
YQKASTFTNVIUHM-XLPZGREQSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1c(=O)[nH]c2c1nc(NC(=O)C(C)C)[nH]c2=O

Properties

Complexity:
687  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
353.134g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
353.335g/mol
Monoisotopic Mass:
353.134g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
153A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4  

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