Mupirocin Calcium - ≥99% , CAS No.104486-81-9

CAS: 104486-81-9 Cat. No.: M1236903 PubChem CID: 6435927

GRADE & PURITY ≥99%

Storage

Room temperature

Shipped In

Normal

Specifications

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Tipo de acción

INHIBITOR

Pureza

≥99%

Nombres e identificadores

Sonrisas canónicas

CC(C1C(O1)CC2COC(C(C2O)O)CC(=CC(=O)OCCCCCCCCC(=O)[O-])C)C(C)O.CC(C1C(O1)CC2COC(C(C2O)O)CC(=CC(=O)OCCCCCCCCC(=O)[O-])C)C(C)O.[Ca+2]

IUPAC Name

calcium;9-[(E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methylbut-2-enoyl]oxynonanoate

InChIKey

HAXVBVDETFUQGV-LNQHITRNSA-L

INCHI

1S/2C26H44O9.Ca/c2*1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27;/h2*13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29);/q;;+2/p-2/b2*16-13+;/t2*17-,18-,19-,20-,21-,24+,25-,26-;/m00./s1

Isómeros SMILES

C[C@@H]([C@@H](O)C)[C@@H]1O[C@H]1C[C@@H]2[C@H]([C@H]([C@@H](OC2)C/C(=C/C(=O)OCCCCCCCCC(=O)[O-])/C)O)O.C[C@@H]([C@@H](O)C)[C@@H]1O[C@H]1C[C@@H]2[C@H]([C@H]([C@@H](OC2)C/C(=C/C(=O)OCCCCCCCCC(=O)[O-])/C)O)O.[Ca+2]

CAS alternativo

104486-81-9

PubChem CID

6435927

Términos de entrada MeSH

14C-Labeled Mupirocin;Bactroban;BRL 4910A;BRL-4910A;BRL4910A;Mupirocin;Mupirocin Calcium;Mupirocin, 14C Labeled;Mupirocin, 14C-Labeled;Mupirocin, Calcium Salt (2:1);Mupirocin, Calcium Salt (2:1), Dihydrate;Mupirocin, Lithium Salt;Mupirocin, Sodium Salt;Ps

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain fatty acids
• Alternative Parents: Branched fatty acids Hydroxy fatty acids Epoxy fatty acids Fatty acid esters Oxanes Dicarboxylic acids and derivatives Monosaccharides Enoate esters Secondary alcohols Carboxylic acid salts Oxacyclic compounds Carboxylic acids Dialkyl ethers Organic calcium salts Epoxides Organic oxides Carbonyl compounds Organic zwitterions Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Medium-chain fatty acid - Branched fatty acid - Epoxy fatty acid - Fatty acid ester - Heterocyclic fatty acid - Hydroxy fatty acid - Dicarboxylic acid or derivatives - Monosaccharide - Oxane - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Secondary alcohol - Carboxylic acid ester - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Organic calcium salt - Oxirane - Ether - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Carbonyl group - Organic zwitterion - Organic oxide - Alcohol - Hydrocarbon derivative - Organooxygen compound - Organic salt - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
• 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

Propiedades químicas y físicas

• Peso molecular: 1039.300 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 32
• Exact Mass: 1038.54 Da
• Monoisotopic Mass: 1038.54 Da
• Topological Polar Surface Area: 298.000 Ų
• Heavy Atom Count: 71
• Formal Charge: 0
• Complexity: 689.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 16
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 3

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