9-({(2E)-4-[(2S,3R,4R,5S)-3,4-Dihydroxy-5-({(2S,3S)-3-[(2S,3S)-3-hydroxy-2-butanyl]-2-oxiranyl}methyl)tetrahydro-2H-pyran-2-yl]-3-methyl-2-butenoyl}oxy)nonanoic acid (non-preferred name)

Basic Information

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CAS Number

12650-69-0

Molecular Formula

C26H44O9

Molecular Weight

500.63 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

78°C

Boiling Point

672.3°C at 760 mmHg

Density

1.1830

Water Solubility

Soluble in DMSO or methanol. Sparingly soluble in water

Flash Point

>110°(230°F)

Solubility

H2O: 12 mg/mL, soluble

Refractive Index

1.524

Specific Rotation

-15.7° - -20.0° (c=1, MeOH)

SMILES

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C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]2CO[C@@H](C/C(=C/C(=O)OCCCCCCCCC(=O)O)/C)[C@H](O)[C@@H]2O

InChI

InChI=1S/C26H44O9/c1-16(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/h13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29)/b16-13+/t17-,18-,19-,20-,21-,24+,25-,26-/m0/s1

InChIKey

MINDHVHHQZYEEK-HBBNESRFSA-N

LogP

2.5925

Topological Polar Surface Area

146.04999999999998 Å²

Hydrogen Bond Donor/Acceptor

4 / 9

Complexity

694

Safety Information

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GHS Hazard Pictograms

H317

Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

Synonyms & References

English

Mupirocin
Pseudomonic acid
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]oxynonanoic acid
Bactroban
Bactroban Nasal
BRL-4910A
Centany
Mupirocina
Mupirocine
Mupirocinum
Plasimine
Pseudomonic acid A
5,9-Anhydro-2,3,4,8-tetradeoxy-8-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-3-methyl-[2E,8[2S,3S(1S,2S)]]-L-talonon-2-enonic acid 8-carboxyoctyl ester
Turixi
Turixin
Mupricin
Bactoderm
BRL 4910A
Aids108090
Aids-108090
C26H44O9
Bactroban (TN)
Mupirocinum [Latin]
Mupirocine [French]
Mupirocina [Spanish]
D0GX863OA5
MRC
6-Chloro-2,4-dimethoxy pyrimidine
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]oxynonanoic
9-(((E)-4-((2S,3R,4R,5S)-3,4-dihydroxy-5-(((2S,3S)-3-((2S,3S)-3-hydroxybutan-2-yl)oxiran-2-yl)methyl)tetrahydro-2H-pyran-2-yl)-3-methylbut-2-enoyl)oxy)nonanoic acid

MDL Number

MFCD01711620

Customs Code

2941909000

FAQ

What is 9-({(2E)-4-[(2S,3R,4R,5S)-3,4-Dihydroxy-5-({(2S,3S)-3-[(2S,3S)-3-hydroxy-2-butanyl]-2-oxiranyl}methyl)tetrahydro-2H-pyran-2-yl]-3-methyl-2-butenoyl}oxy)nonanoic acid (CAS: 12650-69-0)?

9-({(2E)-4-[(2S,3R,4R,5S)-3,4-Dihydroxy-5-({(2S,3S)-3-[(2S,3S)-3-hydroxy-2-butanyl]-2-oxiranyl}methyl)tetrahydro-2H-pyran-2-yl]-3-methyl-2-butenoyl}oxy)nonanoic acid (CAS: 12650-69-0) is a complex organic compound featuring a long hydrocarbon chain with multiple hydroxyl and oxiranyl groups. It exhibits structural characteristics typical of fatty acid derivatives, including ester functionality and stereochemical complexity. This compound is primarily used in specialized research and industrial applications due to its unique molecular architecture.

What are the main uses of 9-({(2E)-4-[(2S,3R,4R,5S)-3,4-Dihydroxy-5-({(2S,3S)-3-[(2S,3S)-3-hydroxy-2-butanyl]-2-oxiranyl}methyl)tetrahydro-2H-pyran-2-yl]-3-methyl-2-butenoyl}oxy)nonanoic acid (CAS: 12650-69-0)?

This compound is mainly used in pharmaceutical research as a potential precursor for drug development, in organic synthesis for creating complex molecules, and in industrial applications involving specialized chemical formulations. Its unique structure makes it valuable for studying biological interactions and developing new materials. It is also utilized in research settings for structural analysis and chemical innovation.

Is 9-({(2E)-4-[(2S,3R,4R,5S)-3,4-Dihydroxy-5-({(2S,3S)-3-[(2S,3S)-3-hydroxy-2-butanyl]-2-oxiranyl}methyl)tetrahydro-2H-pyran-2-yl]-3-methyl-2-butenoyl}oxy)nonanoic acid (CAS: 12650-69-0) safe?

Safety data for this compound is limited, but as a complex organic chemical, it requires standard laboratory precautions. Handling should be done in a well-ventilated area, avoiding direct skin contact and inhalation. Protective equipment such as gloves, goggles, and lab coats is recommended. While no significant toxicity has been reported, proper adherence to safety protocols and regulatory guidelines is essential for minimizing risks.

How should 9-({(2E)-4-[(2S,3R,4R,5S)-3,4-Dihydroxy-5-({(2S,3S)-3-[(2S,3S)-3-hydroxy-2-butanyl]-2-oxiranyl}methyl)tetrahydro-2H-pyran-2-yl]-3-methyl-2-butenoyl}oxy)nonanoic acid (CAS: 12650-69-0) be stored?

This compound should be stored in a cool, dry place away from light and moisture. Maintain storage conditions at 2-8°C to ensure stability. Use airtight, sealed containers to prevent exposure to air and humidity. Avoid contact with incompatible substances and store in a well-ventilated area. Proper storage is critical to preserving its chemical integrity and preventing degradation.