Acetyl coenzyme A sodium salt

C₂₃H₃₇N₇NaO₁₇P₃SCAS 102029-73-2831.55 g/mol

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Alcohol Amide Ether Phosphate Primary amine Sulfide

Properties

Molecular formula: C₂₃H₃₇N₇NaO₁₇P₃S
Molar mass: 831.55 g/mol
Exact mass: 831.1077 Da
logP: -4.94Crippen estimate
Polar surface area: 366.5 Å²
H-bond donors / acceptors: 8 / 19
Rotatable bonds: 19

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number

102029-73-2

SMILES

CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc23)C(O)C1OP(=O)(O)O.[Na+]

InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Similar compounds

Coenzyme A85-61-056 % similar 3′,5′-cAMP sodium salt37839-81-949 % similar Sodium adenosine 5′-diphosphate20398-34-948 % similar ATP disodium987-65-547 % similar Cyclic adenosine monophosphate60-92-447 % similar Adenosine diphosphate58-64-046 % similar Nicotinamide adenine dinucleotide phosphate53-59-846 % similar 5′-ATP56-65-545 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

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Elsewhere

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