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17331-13-4 | Guanosine, 2'-deoxy-N-[(dimethylamino)methylene]-
CAS No: 17331-13-4 Catalog No: AG001YRZ MDL No:
Product Description
Catalog Number:
AG001YRZ
Chemical Name:
Guanosine, 2'-deoxy-N-[(dimethylamino)methylene]-
CAS Number:
17331-13-4
Molecular Formula:
C13H18N6O4
Molecular Weight:
322.3198
IUPAC Name:
N'-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide
InChI:
InChI=1S/C13H18N6O4/c1-18(2)5-15-13-16-11-10(12(22)17-13)14-6-19(11)9-3-7(21)8(4-20)23-9/h5-9,20-21H,3-4H2,1-2H3,(H,16,17,22)/t7-,8+,9+/m0/s1
InChI Key:
ZXECVVVXPHBGGX-DJLDLDEBSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1nc(N=CN(C)C)[nH]c2=O
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
322.139g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
322.325g/mol
Monoisotopic Mass:
322.139g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.3
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