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157025-66-6 | Guanosine, 3'-deoxy-N-(2-methyl-1-oxopropyl)- (9CI)
CAS No: 157025-66-6 Catalog No: AG001P6B MDL No:
Product Description
Catalog Number:
AG001P6B
Chemical Name:
Guanosine, 3'-deoxy-N-(2-methyl-1-oxopropyl)- (9CI)
CAS Number:
157025-66-6
Molecular Formula:
C14H19N5O5
Molecular Weight:
337.3312
IUPAC Name:
N-[9-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
InChI:
InChI=1S/C14H19N5O5/c1-6(2)11(22)17-14-16-10-9(12(23)18-14)15-5-19(10)13-8(21)3-7(4-20)24-13/h5-8,13,20-21H,3-4H2,1-2H3,(H2,16,17,18,22,23)/t7-,8+,13+/m0/s1
InChI Key:
QSXPVQGZAJGZPJ-HHURGBBESA-N
SMILES:
OC[C@H]1O[C@H]([C@@H](C1)O)n1cnc2c1nc(NC(=O)C(C)C)[nH]c2=O
Properties
Complexity:
554
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
337.139g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
337.336g/mol
Monoisotopic Mass:
337.139g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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