8,2'-S-Cycloinosinyl-(3',5')-8,2'-S-cycloadenosine
[CAS# 50271-86-8]

Identification

• Name: 8,2'-S-Cycloinosinyl-(3',5')-8,2'-S-cycloadenosine
• Synonyms: 8,2'-S-Cycloinosinyl-(3',5')-8,2'-S-Cycloadenosine Hexahydrate; I(S)Pa(S); Phosphoric Acid, Mono((4-Amino-6A,7,8,9A-Tetrahydro-7-Hydroxyfuro(2',3':4,5)Thiazolo(3,2-E)Purin-8-Yl)Methyl) Mono(3,4,6A,7,8,9A-Hexahydro-8-(Hydroxymethyl)-4-Oxofuro(2',3':4,5)Thiazolo(3,2-E)Purin-7-Yl) Ester, (6As-(6Aalpha,7Alpha,8Beta,9Aalpha))-(6'As-(6'Aalpha,7'Alpha,8'Beta,9'Aalpha))-
• Molecular Formula: C₂₀H₂₀N₉O₉PS₂
• Molecular Weight: 625.53
• CAS Registry Number: 50271-86-8
• SMILES: C8=NC1=C(N=C2[N]1C7C(S2)C(C(CN6C3=C(N=C4[N]3C5C(S4)C(O[P](=O)(O)O)C(O5)CO)C(N=C6)=O)O7)O)C(=N8)N
• InChI: 1S/C20H20N9O9PS2/c21-13-7-14(23-3-22-13)28-17-11(40-19(28)25-7)9(31)5(36-17)1-27-4-24-15(32)8-16(27)29-18-12(41-20(29)26-8)10(6(2-30)37-18)38-39(33,34)35/h3-6,9-12,17-18,30-31H,1-2H2,(H2,21,22,23)(H2,33,34,35)
• InChIKey: NLMJSNIWSPQVAN-UHFFFAOYSA-N

Properties

• Density: 2.708g/cm³ (Cal.)
• Boiling point: 1145.481°C at 760 mmHg (Cal.)
• Flash point: 646.563°C (Cal.)