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

CAS: 67814-76-0 Cat. No.: I425406 분자식: C22H43N5O12•H2O4S 분자량: 569.609808 PubChem CID: 636375

GRADE & PURITY 10mM in Water

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

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

동의어

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

사양 및 순도

10mM in Water

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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이름과 식별자

Pubchem Sid

528774088

정식 스마일

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

이성체 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

분자량

569.609808

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 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
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 분자량: 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