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102029-73-2

Basic Information
CAS No.: 102029-73-2
Name: Acetyl coenzyme A sodium salt
Molecular Structure:
Molecular Structure of 102029-73-2 (Acetyl coenzyme A sodium salt)
Formula: C23H38 N7 O17 P3 S . 3 Na
Molecular Weight: 831.55
Synonyms: ACETHYL COENZYME A SODIUM SALT;ACETYL COENZYME A (C2:0) SODIUMPREPARED ENZYMATICA;Acetyl-Coenzym A;acetyl coa;C2:0;Acetyl Coenzyme A Trisodium Salt;ACETYL COENZYME A;coenzyme A acetyl derivative (C2:0),sodium salt;
Solubility: H2O: 100 mg/mL
Risk Codes: 23/24/25-36/38-39/23/24/25-66-67
Safety: 24-36/37-45
PSA: 418.36000
LogP: 0.04760
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    Molecule structure of Acetyl coenzyme A sodium salt (CAS NO.102029-73-2): Systematic Name: 9H-Purin-6-amine, 9-[5-O-[[[[4-[[3-[[2-(acetylthio)ethyl]amino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]hydroxyphosphinyl]oxy]hydroxyphosphi

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Chemistry

Molecule structure of Acetyl coenzyme A sodium salt (CAS NO.102029-73-2):

Systematic Name: 9H-Purin-6-amine, 9-[5-O-[[[[4-[[3-[[2-(acetylthio)ethyl]amino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-3-O-phosphonopentofuranosyl]-, monosodium salt
Molecular Formula: C23H37N7NaO17P3S
Molecular Weight: 831.55 g/mol
CAS Registry Number: 102029-73-2 
Storage Temp.: −20 °C
Water Solubility: 100 mg/mL
Form of Acetyl coenzyme A sodium salt (CAS NO.102029-73-2): powder
InChI: InChI=1/C23H38N7O17P3S.Na/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30;/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38); 
InChIKey: XGCDESRMLMCTPI-UHFFFAOYAH
Std. InChI: InChI=1S/C23H38N7O17P3S.Na/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30;/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38); 
Std. InChIKey: XGCDESRMLMCTPI-UHFFFAOYSA-N

Safety Profile

Risk Statements: 23/24/25-36/38-39/23/24/25-66-67 
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed. 
R36/38:Irritating to eyes and skin. 
R39:Danger of very serious irreversible effects. 
R66:Repeated exposure may cause skin dryness or cracking. 
R67:Vapours may cause drowsiness and dizziness.
Safety Statements: 24-36/37-45 
S24:Avoid contact with skin. 
S36/37:Wear suitable protective clothing and gloves. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
WGK Germany: 1
F: 3-10-21

Specification

 Acetyl coenzyme A sodium salt (CAS NO.102029-73-2) is also named as Acetyl CoA ; Acetyl coenzyme- A-(acetyl-3H) ; Acethyl coenzyme alpha sodium salt ; Acetyl-Coenzym A .