Isepamicin sulfate - ≥98% , CAS No.67814-76-0

CAS: 67814-76-0 Cat. No.: I339973 Formula: C22H43N5O12•H2O4S Peso molecolare: 569.609808 PubChem CID: 636375

GRADE & PURITY ≥98%

Synonyms

D-STREPTAMINE, O-6-AMINO-6-DEOXY-.ALPHA.-D-GLUCOPYRANOSYL-(1->4)-O-(3-DEOXY-4-C-METHYL-3-(METHYLAMINO)-.BETA.-L-ARABINOPYRANOSYL-(1->6))-N1-((2S)-3-AMINO-2-HYDROXY-1-OXOPROPYL)-2-DEOXY-, SULFATE (1:1) (SALT) | Isepamicin sulfate (JP17) | Isepamicine (Isep

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinonimi

D-STREPTAMINE, O-6-AMINO-6-DEOXY-.ALPHA.-D-GLUCOPYRANOSYL-(1->4)-O-(3-DEOXY-4-C-METHYL-3-(METHYLAMINO)-.BETA.-L-ARABINOPYRANOSYL-(1->6))-N1-((2S)-3-AMINO-2-HYDROXY-1-OXOPROPYL)-2-DEOXY-, SULFATE (1:1) (SALT) | Isepamicin sulfate (JP17) | Isepamicine (Isep

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Protected from light,Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504759609

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504759609

Sorrisi canonici

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

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

InChIKey

DDXRHRXGIWOVDQ-MGAUJLSLSA-N

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

Isomeri 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

Peso molecolare

569.609808

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe 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
• Classe: 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
• Descrizione: 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

Data sources

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

Proprietà chimiche e fisiche

• Sensibilità: Light sensitive;Heat sensitive
• Peso molecolare: 667.700 g/mol
• 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 Ų
• 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

XLogP3