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(20E)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatetracos-20-en-24-oic acid 3,5-dioxide (non-preferred name) (138149-18-5)

Identification
Name:(20E)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatetracos-20-en-24-oic acid 3,5-dioxide (non-preferred name)
Synonyms:2,3-dehydroadipyl-CoA;5-Carboxy-2-pentenoyl-CoA;AC1NQZWV;C14144;(E)-6-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-6-oxohex-4-enoic acid;138149-18-5
CAS:138149-18-5
Molecular Formula: C27H42N7O19P3S
Molecular Weight: 893.6442
InChI: InChI=1/C27H42N7O19P3S/c1-27(2,22(40)25(41)30-8-7-16(35)29-9-10-57-18(38)6-4-3-5-17(36)37)12-50-56(47,48)53-55(45,46)49-11-15-21(52-54(42,43)44)20(39)26(51-15)34-14-33-19-23(28)31-13-32-24(19)34/h4,6,13-15,20-22,26,39-40H,3,5,7-12H2,1-2H3,(H,29,35)(H,30,41)(H,36,37)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/b6-4+/t15-,20-,21-,22?,26-/m1/s1
Molecular Structure: (C27H42N7O19P3S) 2,3-dehydroadipyl-CoA;5-Carboxy-2-pentenoyl-CoA;AC1NQZWV;C14144;(E)-6-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(...
Properties
Flash Point: °C
Boiling Point: °Cat760mmHg
Density:1.84g/cm3
Refractive index:1.702
Flash Point: °C
Safety Data
 

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