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Isepamicin sulfate - 10mM in Water, high purity , CAS No.67814-76-0

COA

Grade & Purity:

10mM in Water

Cas Number: 67814-76-0
Molecular Weight: 569.609808
PubChem CID: 636375

In stock

Item Number

I425406

Grouped product items
SKU	Size	Availability	Price	Qty
I425406-1ml	1ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$241.90

View related series

Antibiotic (1629) Bacterial (3013) Compound libraries (12325)

Basic Description

Synonyms	isepamicin sulfate \| Isepamicin sulphate \| 67814-76-0 \| Isepacin \| Ispallin \| Exacin \| Isepamicin monosulfate \| 393574-17-9 \| Isepamicin sulfate [MI] \| Isepamicin sulfate [JAN] \| Isepamicine sulphate \| Isepamicin sulfate [WHO-DD] \| Isepamicine (Isepamycin \| sch21420) Sulphate \| F2L2
Specifications & Purity	10mM in Water
Storage Temp	Store at -80°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbohydrates and carbohydrate conjugates
      - Level5 Aminosaccharides
        Level6 Aminoglycosides
        Level7 Aminocyclitol glycosides
        Level8 2-deoxystreptamine aminoglycosides

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbohydrates and carbohydrate conjugates
Intermediate Tree Nodes	Aminosaccharides - Aminoglycosides - Aminocyclitol glycosides
Direct Parent	2-deoxystreptamine aminoglycosides
Alternative Parents	Beta amino acids and derivatives O-glycosyl compounds Aminocyclitols and derivatives Cyclohexanols Cyclohexylamines Oxanes Monosaccharides Organic sulfuric acids Tertiary alcohols 1,2-aminoalcohols Secondary carboxylic acid amides Oxacyclic compounds Acetals Dialkylamines Polyols Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	2-deoxystreptamine aminoglycoside - O-glycosyl compound - Beta amino acid or derivatives - Glycosyl compound - Aminocyclitol or derivatives - Sulfuric acid - Cyclohexylamine - Cyclohexanol - Monosaccharide - Cyclitol or derivatives - Oxane - Organic sulfuric acid or derivatives - Tertiary alcohol - Cyclic alcohol - Amino acid or derivatives - 1,2-aminoalcohol - Secondary carboxylic acid amide - Carboxamide group - Secondary alcohol - Acetal - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Secondary amine - Polyol - Secondary aliphatic amine - Alcohol - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Amine - Primary amine - Organopnictogen compound - Organic oxide - Organonitrogen compound - Primary aliphatic amine - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 2-deoxystreptamine aminoglycosides. These are aminoglycosides containing the 2-deoxystreptamine (1,3-diaminocyclohexane-4,5,6-triol) core.
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

Names and Identifiers

IUPAC Name	(2S)-3-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxypropanamide;sulfuric acid
INCHI	InChI=1S/C22H43N5O12.H2O4S/c1-22(35)6-36-20(15(33)18(22)26-2)39-17-8(27-19(34)9(28)4-23)3-7(25)16(14(17)32)38-21-13(31)12(30)11(29)10(5-24)37-21;1-5(2,3)4/h7-18,20-21,26,28-33,35H,3-6,23-25H2,1-2H3,(H,27,34);(H2,1,2,3,4)/t7-,8+,9-,10+,11+,12-,13+,14-,15+,16+,17-,18+,20+,21+,22-;/m0./s1
InChIKey	DDXRHRXGIWOVDQ-MGAUJLSLSA-N
Smiles	CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(C(C(C(O3)CN)O)O)O)N)NC(=O)C(CN)O)O.OS(=O)(=O)O
Isomeric SMILES	C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)O)N)NC(=O)[C@H](CN)O)O.OS(=O)(=O)O
PubChem CID	636375
Molecular Weight	569.609808

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	667.700 g/mol
XLogP3
Hydrogen Bond Donor Count	14
Hydrogen Bond Acceptor Count	20
Rotatable Bond Count	9
Exact Mass	667.258 Da
Monoisotopic Mass	667.258 Da
Topological Polar Surface Area	381.000 Å²
Heavy Atom Count	44
Formal Charge	0
Complexity	899.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	15
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	2

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