AG001YRZ

17331-13-4 | Guanosine, 2'-deoxy-N-[(dimethylamino)methylene]-

AG001YRZ

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CAS Number	17331-13-4
Catalog Number	AG001YRZ(AGN-PC-0O4WEU)
Chemical Name	Guanosine, 2'-deoxy-N-[(dimethylamino)methylene]-
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
MDL Number	MFCD08704073
Molecular Formula	C13H18N6O4
Molecular Weight	322.3198
SMILES	OC[C@@H]1[C@H](C[C@H](N2C=NC3=C2N=C(/N=C/N(C)C)NC3=O)O1)O
Synonyms	2'-Deoxy-N2-Dimethylaminomethylene-Guanosine, 17331-13-4, DMF-dG, CTK4D4586, DTXSID10654674, ZINC11866650, ZINC256838868, 2'-Deoxy-N-[(dimethylamino)methylidene]guanosine, Guanosine,2'-deoxy-N-[(dimethylamino)methylene]-, 2-N-(N,N-dimethylaminomethylene)-2'-deoxyguanosine, 9-(2-Deoxy-beta-D-ribofuranosyl)-2-[(dimethylamino)methyleneamino]-9H-purine-6(1H)-one,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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