6402-06-8 Purity
95%+
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Specification
The molecular formula is C14H21N5O7.
The synonyms are n2-isobutyrylguanosine monohydrate and N-Isobutyrylguanosine hydrate.
The IUPAC name is N-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;hydrate.
The InChI is InChI=1S/C14H19N5O6.H2O/c1-5(2)11(23)17-14-16-10-7(12(24)18-14)15-4-19(10)13-9(22)8(21)6(3-20)25-13;/h4-6,8-9,13,20-22H,3H2,1-2H3,(H2,16,17,18,23,24);1H2/t6-,8-,9-,13-;/m1./s1.
The InChIKey is JXIMAIWXKDBJKP-DOKXERMVSA-N.
The canonical SMILES is CC(C)C(=O)NC1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)CO)O)O.O.
The molecular weight is 371.35g/mol.
It has 6 hydrogen bond donor counts.
It has 9 hydrogen bond acceptor counts.
It has 4 rotatable bond counts.