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Adenosine5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate),P'-[(3S)-3-hydroxy-4-[[3-[(2-mercaptoethyl)amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl]ester (9CI) (31416-98-5)

Identification
Name:Adenosine5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate),P'-[(3S)-3-hydroxy-4-[[3-[(2-mercaptoethyl)amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl]ester (9CI)
Synonyms:Adenosine,3'-(dihydrogen phosphate) 5'-(trihydrogen pyrophosphate), 5'®4-ester withL-2,4-dihydroxy-N-[2-[(2-mercaptoethyl)carbamoyl]ethyl]-3,3-dimethylbutyramide(8CI); L-Coenzyme A; NSC 20274
CAS:31416-98-5
Molecular Formula: C21H36 N7 O16 P3 S
Molecular Weight: 767.5341
InChI: InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)
Molecular Structure: (C21H36N7O16P3S) Adenosine,3'-(dihydrogen phosphate) 5'-(trihydrogen pyrophosphate), 5'®4-ester withL-2,4-dihydro...
Properties
Flash Point: °C
Boiling Point: °Cat760mmHg
Density:1.96g/cm3
Flash Point: °C
Safety Data
 

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