(2S,3S,4R,5R)-2-[[1-Amino-8-(3-Aminopropylamino)Octan-3-Yl]Sulfanylmethyl]-5-(6-Aminopurin-9-Yl)Oxolane-3,4-Diol
[CAS# 118436-57-0]

Identification

• Name: (2S,3S,4R,5R)-2-[[1-Amino-8-(3-Aminopropylamino)Octan-3-Yl]Sulfanylmethyl]-5-(6-Aminopurin-9-Yl)Oxolane-3,4-Diol
• Synonyms: (2S,3S,4R,5R)-2-[[1-(2-Aminoethyl)-6-(3-Aminopropylamino)Hexyl]Sulfanylmethyl]-5-(6-Aminopurin-9-Yl)Tetrahydrofuran-3,4-Diol; (2S,3S,4R,5R)-2-[[[1-(2-Aminoethyl)-6-(3-Aminopropylamino)Hexyl]Thio]Methyl]-5-(6-Amino-9-Purinyl)Tetrahydrofuran-3,4-Diol; (2S,3S,4R,5R)-2-[[[1-(2-Aminoethyl)-6-(3-Aminopropylamino)Hexyl]Thio]Methyl]-5-(6-Aminopurin-9-Yl)Tetrahydrofuran-3,4-Diol
• Molecular Formula: C₂₁H₃₈N₈O₃S
• Molecular Weight: 482.64
• CAS Registry Number: 118436-57-0
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CSC(CCCCCNCCCN)CCN)[N]2C3=C(N=C2)C(=NC=N3)N
• InChI: 1S/C21H38N8O3S/c22-7-4-10-25-9-3-1-2-5-14(6-8-23)33-11-15-17(30)18(31)21(32-15)29-13-28-16-19(24)26-12-27-20(16)29/h12-15,17-18,21,25,30-31H,1-11,22-23H2,(H2,24,26,27)/t14?,15-,17-,18-,21-/m1/s1
• InChIKey: IYEWZPHRHXRMCW-BWZSZYTASA-N

Properties

• Density: 1.507g/cm³ (Cal.)
• Boiling point: 770.585°C at 760 mmHg (Cal.)
• Flash point: 419.835°C (Cal.)