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2'-O-Acetylerythromycin A , Bacterial 70S ribosome inhibitor, CAS No.992-69-8, Bacterial 70S ribosome inhibitor

COA

Cas Number: 992-69-8
Molecular Weight: 776
PubChem CID: 114919

In stock

Item Number

O670964

Grouped product items
SKU	Size	Availability	Price	Qty
O670964-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$999.90

Basic Description

Synonyms	2'-O-Acetylerythromycin A \| C21595 \| 2'-Acetylerythromycin \| Erythromycin, 2'-acetate \| CHEMBL2110577 \| 2'-Acetylerythromycin A \| 2'-O-Acetyl-erythromycin A \| CVBHEIRZLPKMSH-SNWVVRALSA-N \| Erythromycin 2'-acetate \| Q27893913 \| UNII-S3Q5941GCW \| S3Q5941GCW
Action Type	INHIBITOR
Mechanism of action	Bacterial 70S ribosome inhibitor

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbohydrates and carbohydrate conjugates
      - Level5 Aminosaccharides
        Level6 Aminoglycosides

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbohydrates and carbohydrate conjugates
Intermediate Tree Nodes	Aminosaccharides
Direct Parent	Aminoglycosides
Alternative Parents	Macrolides and analogues O-glycosyl compounds Oxanes Dicarboxylic acids and derivatives Monosaccharides Tertiary alcohols Trialkylamines Secondary alcohols Amino acids and derivatives Carboxylic acid esters Cyclic ketones Lactones Acetals Polyols Oxacyclic compounds Dialkyl ethers Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Aminoglycoside core - Macrolide - Glycosyl compound - O-glycosyl compound - Dicarboxylic acid or derivatives - Monosaccharide - Oxane - Tertiary alcohol - Amino acid or derivatives - Carboxylic acid ester - Ketone - Lactone - Cyclic ketone - Secondary alcohol - Tertiary aliphatic amine - Tertiary amine - Ether - Dialkyl ether - Oxacycle - Organoheterocyclic compound - Acetal - Polyol - Carboxylic acid derivative - Hydrocarbon derivative - Amine - Organic oxide - Organopnictogen compound - Alcohol - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as aminoglycosides. These are molecules or a portion of a molecule composed of amino-modified sugars.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	[(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-6-methyloxan-3-yl] acetate
INCHI	InChI=1S/C39H69NO14/c1-15-27-39(11,47)32(43)21(4)29(42)19(2)17-37(9,46)34(54-36-31(51-25(8)41)26(40(12)13)16-20(3)49-36)22(5)30(23(6)35(45)52-27)53-28-18-38(10,48-14)33(44)24(7)50-28/h19-24,26-28,30-34,36,43-44,46-47H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,2
InChIKey	CVBHEIRZLPKMSH-SNWVVRALSA-N
Smiles	CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)OC(=O)C)(C)O)C)C)O)(C)O
Isomeric SMILES	CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)OC(=O)C)(C)O)C)C)O)(C)O
PubChem CID	114919
Molecular Weight	776

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	776.000 g/mol
XLogP3	3.300
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	9
Exact Mass	775.472 Da
Monoisotopic Mass	775.472 Da
Topological Polar Surface Area	200.000 Å²
Heavy Atom Count	54
Formal Charge	0
Complexity	1290.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	18
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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