7,8-Dihydro-7-Methyl-8-Thioxoguanosine
[CAS# 127794-14-3]

Identification

• Name: 7,8-Dihydro-7-Methyl-8-Thioxoguanosine
• Synonyms: 2-Amino-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-7-Methyl-8-Thioxo-3H-Purin-6-One; 2-Amino-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-7-Methyl-8-Thioxo-3H-Purin-6-One; 2-Amino-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-Methylol-Tetrahydrofuran-2-Yl]-7-Methyl-8-Thioxo-3H-Purin-6-One
• Molecular Formula: C₁₁H₁₅N₅O₅S
• Molecular Weight: 329.33
• CAS Registry Number: 127794-14-3
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO)N2C3=C(N(C2=S)C)C(=O)N=C(N3)N
• InChI: 1S/C11H15N5O5S/c1-15-4-7(13-10(12)14-8(4)20)16(11(15)22)9-6(19)5(18)3(2-17)21-9/h3,5-6,9,17-19H,2H2,1H3,(H3,12,13,14,20)/t3-,5-,6-,9-/m1/s1
• InChIKey: RYCBQZRMWCNRMH-UUOKFMHZSA-N

Properties

• Density: 2.119g/cm³ (Cal.)
• Boiling point: 581.081°C at 760 mmHg (Cal.)
• Flash point: 305.227°C (Cal.)