(2S,3S,4R,5R)-5-(6-{[6-({[5-(Dimethylamino)-1-Naphthyl]Sulfonyl}Amino)Hexyl]Amino}-9H-Purin-9-Yl)-N-Ethyl-3,4-Dihydroxytetrahydro-2-Furancarboxamide
[CAS# 219982-12-4]

Identification

• Name: (2S,3S,4R,5R)-5-(6-{[6-({[5-(Dimethylamino)-1-Naphthyl]Sulfonyl}Amino)Hexyl]Amino}-9H-Purin-9-Yl)-N-Ethyl-3,4-Dihydroxytetrahydro-2-Furancarboxamide
• Synonyms: Dansyl-NECA
• Molecular Formula: C₃₀H₄₀N₈O₆S
• Molecular Weight: 640.75
• CAS Registry Number: 219982-12-4
• SMILES: O=S(=O)(c2c1cccc(N(C)C)c1ccc2)NCCCCCCNc5ncnc3c5ncn3[C@@H]4O[C@H](C(=O)NCC)[C@@H](O)[C@H]4O
• InChI: 1S/C30H40N8O6S/c1-4-31-29(41)26-24(39)25(40)30(44-26)38-18-35-23-27(33-17-34-28(23)38)32-15-7-5-6-8-16-36-45(42,43)22-14-10-11-19-20(22)12-9-13-21(19)37(2)3/h9-14,17-18,24-26,30,36,39-40H,4-8,15-16H2,1-3H3,(H,31,41)(H,32,33,34)/t24-,25+,26-,30+/m0/s1
• InChIKey: CJDPJPUVKHWZHU-YRIIQKNPSA-N

Properties

• Density: 1.464g/cm³ (Cal.)
• Refractive index: 1.691 (Cal.)