| Identification |
| Name: | S-{(9R)-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-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (4R)-4-[(3R,5S,7R,8R,9S,10S, |
| Synonyms: | Cholyl-coenzyme A;Choloyl-coenzyme A;cholyl-CoA;Cholanoyl Coenzyme A;Coenzyme A, S-cholate;AC1LD8IE;CHEBI:15519;S-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl)-CoA;3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl-coenzyme A;y]phosphinyl]oxy]phosphinyl]-3-O-phosphono-beta-D-ribofuranosyl]-;6050-48-2;9H-purin-6-amine,9-[5-O-[hydroxy[[hydroxy[[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[[2-[[(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]thio]ethyl]amino]propyl]amino]butyl]ox;Cholane-24-thioic acid, 3,7,12-trihydroxy-, S-ester with coenzyme A, (3alpha,5beta,7alpha,12alpha)-;S-[2-[3-[[(2R)-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]ethyl] (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanethioate |
| CAS: | 6050-48-2 |
| Molecular Formula: | C45H74N7O20P3S |
| Molecular Weight: | 1158.0902 |
| InChI: | InChI=1/C45H74N7O20P3S/c1-23(26-7-8-27-34-28(18-31(55)45(26,27)5)44(4)12-10-25(53)16-24(44)17-29(34)54)6-9-33(57)76-15-14-47-32(56)11-13-48-41(60)38(59)43(2,3)20-69-75(66,67)72-74(64,65)68-19-30-37(71-73(61,62)63)36(58)42(70-30)52-22-51-35-39(46)49-21-50-40(35)52/h21-31,34,36-38,42,53-55,58-59H,6-20H2,1-5H3,(H,47,56)(H,48,60)(H,64,65)(H,66,67)(H2,46,49,50)(H2,61,62,63)/t23-,24+,25-,26-,27+,28+,29-,30-,31+,34+,36-,37-,38+,42-,44+,45-/m1/s1 |
| Molecular Structure: |
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| Properties |
| Flash Point: | °C |
| Boiling Point: | °Cat760mmHg |
| Density: | 1.74g/cm3 |
| Refractive index: | 1.719 |
| Flash Point: | °C |
| Safety Data |
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