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Coenzyme A

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Coenzyme A / CAS : 85-61-0

Appearance White or yellowish powder UN 0.0
HS 35079090 DG Class 0.0
Synonyms Adenosine 5'-(Trihydrogen Diphosphate) 3'-(Dihydrogen Phosphate) P'-[(R)-3-Hydroxy-4-[[3-[(2-Mercaptoethyl)Amino]-3-Oxopropyl]Amino]-2,2-Dimethyl-4-Oxobutyl] Ester; Adenosine 5'-(Trihydrogen Diphosphate), 3'-(Dihydrogen Phosphate), P'-[3-Hydroxy-4-[[3-[(2-Mercaptoethyl)Amino]-3-Oxopropyl]Amino]-2,2-Dimethyl-4-Oxobutyl] Ester, (R)-; Aluzime; CoA; CoA-SH; Coalip; Coenzyme ASH; D-Coenzyme A; Lucina; Reduced CoA; Thiol-CoA
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Properties

Summary

Formula
C21H36N7O16P3S
Molecular Mass
767.53400
Exact Mass
767.11500
PSA
414.79000
Logp
-0.30230
IUPAC
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] hydrogen phosphate
SMILES
CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Biochemicals

Chemical and Physical Properties

Melting Point
-5ºC
Density
1.1335 g/cm3 (20ºC)
Boiling Point
146 - 147
Appearance
White or yellowish powder
Acidity and Basicity
acidness

Export information

HS Code
35079090
Export Rebate
13%
UN No.
0.0
DG-Class
0.0

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