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Impurities and reference standards

Pseudomonic acid E

Also known as Mupirocin III, Boc-Lys(Me)2-OH Hydrate, Mupirocin Impurity 1

CAS 167842-57-1Formula C28H48O9Molar mass 528.68 g/mol
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Pseudomonic acid E chemical structure, C28H48O9, CAS 167842-57-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
167842-57-1
Formula
C28H48O9
Molar mass
528.68 g/mol
HS code
293299
Category
Impurities and reference standards

What is Pseudomonic acid E?

Plain description, key identifiers and synonyms

Pseudomonic acid E is a chemical substance with the molecular formula C28H48O9 and a molar mass of 528.68 g/mol. Its CAS registry number is 167842-57-1. The IUPAC name is 11-[(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]oxyundecanoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
11-[(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]oxyundecanoic acid
CAS number
167842-57-1
Molecular formula
C28H48O9
UNII
AC7J7VW3ER
InChIKey
CEYWZUWGAIPUSN-ZYRVQOIHSA-N
InChI
InChI=1S/C28H48O9/c1-18(15-25(32)35-13-11-9-7-5-4-6-8-10-12-24(30)31)14-22-27(34)26(33)21(17-36-22)16-23-28(37-23)19(2)20(3)29/h15,19-23,26-29,33-34H,4-14,16-17H2,1-3H3,(H,30,31)/b18-15+/t19-,20-,21-,22-,23-,26+,27-,28-/m0/s1
Canonical SMILES
CC(=CC(=O)OCCCCCCCCCCC(=O)O)CC1OCC(CC2OC2C(C)C(C)O)C(O)C1O
Isomeric SMILES
C[C@H]([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@@H]([C@@H]2O)O)C/C(=C/C(=O)OCCCCCCCCCCC(=O)O)/C)[C@H](C)O

Synonyms

  • Mupirocin III
  • Boc-Lys(Me)2-OH Hydrate
  • Mupirocin Impurity 1
  • [2E,8[2S,3S(1S,2S)]]-5,9-Anhydro-2,3,4,8-tetradeoxy-8-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-3-methyl-10-carboxydecyl Ester L-talo-Non-2-enonic Acid
  • 11-[(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]oxyundecanoic acid

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
528.68 g/molcalc.
Exact mass
528.3298 Dacalc.
LogP (octanol/water)
3.37calc.
Topological polar surface area
146.1 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
18calc.
Heavy atoms
37calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.86calc.
Formal charge
0calc.
Stereocentres
8calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, C1COCC(CC2CO2)C1

C1COCC(CC2CO2)C1

2 rings, 10 atoms, the 3-[(Oxiran-2-yl)methyl]oxane ring system.

24 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Pseudomonic acid E suppliers

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Pseudomonic acid E price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Pseudomonic acid E is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Pseudomonic acid E is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Pseudomonic acid E, based on the data on this page

What is Pseudomonic acid E?

Pseudomonic acid E is a chemical substance with the molecular formula C28H48O9 and a molar mass of 528.68 g/mol. Its CAS registry number is 167842-57-1.

What is the CAS number of Pseudomonic acid E?

The CAS registry number of Pseudomonic acid E is 167842-57-1.

What is the molecular formula and weight of Pseudomonic acid E?

The molecular formula of Pseudomonic acid E is C28H48O9 and its molar mass is 528.68 g/mol.

Is Pseudomonic acid E hazardous?

No GHS hazard classification for Pseudomonic acid E is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Pseudomonic acid E?

Pseudomonic acid E is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Pseudomonic acid E?

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What is the price of Pseudomonic acid E?

Suppliers quote Pseudomonic acid E on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Pseudomonic acid E

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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