(2R,3R,4S,5S)-2-(6-Aminopurin-9-Yl)-5-(1,8-Diaminooctan-3-Ylsulfanylmethyl)Oxolane-3,4-Diol
[CAS# 76426-40-9]

Identification

• Name: (2R,3R,4S,5S)-2-(6-Aminopurin-9-Yl)-5-(1,8-Diaminooctan-3-Ylsulfanylmethyl)Oxolane-3,4-Diol
• Synonyms: (2S,3S,4R,5R)-2-[[6-Amino-1-(2-Aminoethyl)Hexyl]Sulfanylmethyl]-5-(6-Aminopurin-9-Yl)Tetrahydrofuran-3,4-Diol; (2S,3S,4R,5R)-2-[[[6-Amino-1-(2-Aminoethyl)Hexyl]Thio]Methyl]-5-(6-Amino-9-Purinyl)Tetrahydrofuran-3,4-Diol; (2S,3S,4R,5R)-2-[[[6-Amino-1-(2-Aminoethyl)Hexyl]Thio]Methyl]-5-(6-Aminopurin-9-Yl)Tetrahydrofuran-3,4-Diol
• Molecular Formula: C₁₈H₃₁N₇O₃S
• Molecular Weight: 425.55
• CAS Registry Number: 76426-40-9
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CSC(CCCCCN)CCN)[N]2C3=C(N=C2)C(=NC=N3)N
• InChI: 1S/C18H31N7O3S/c19-6-3-1-2-4-11(5-7-20)29-8-12-14(26)15(27)18(28-12)25-10-24-13-16(21)22-9-23-17(13)25/h9-12,14-15,18,26-27H,1-8,19-20H2,(H2,21,22,23)/t11?,12-,14-,15-,18-/m1/s1
• InChIKey: YETXSQDQSWLLJR-JJPFLPBXSA-N

Properties

• Density: 1.591g/cm³ (Cal.)
• Boiling point: 739.664°C at 760 mmHg (Cal.)
• Flash point: 401.135°C (Cal.)