1-Methylisoguanosine
[CAS# 70639-65-5]

Identification

• Name: 1-Methylisoguanosine
• Synonyms: 6-Amino-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-1-Methyl-Purin-2-One; 6-Amino-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-1-Methyl-2-Purinone; 6-Amino-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-Methylol-Tetrahydrofuran-2-Yl]-1-Methyl-Purin-2-One
• Molecular Formula: C₁₁H₁₅N₅O₅
• Molecular Weight: 297.27
• CAS Registry Number: 70639-65-5
• SMILES: [C@H]3(N2C1=NC(N(C)C(=C1N=C2)N)=O)[C@@H]([C@H](O)[C@H](O3)CO)O
• InChI: 1S/C11H15N5O5/c1-15-8(12)5-9(14-11(15)20)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2,12H2,1H3/t4-,6-,7-,10-/m1/s1
• InChIKey: NGSRMSVXLUMDAX-KQYNXXCUSA-N

Properties

• Density: 2.026g/cm³ (Cal.)
• Boiling point: 533.548°C at 760 mmHg (Cal.)
• Flash point: 276.48°C (Cal.)