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Screening compounds

Poliothyrsin

Also known as (5-Hydroxy-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)phenyl)methyl (1R)-1-hydroxy-6-oxocyclohex-2-ene-1-carboxylic acid, (5-hydroxy-2-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)methyl 1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate, (5-Hydroxy-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl (1R)-1-hydroxy-6-oxocyclohex-2-ene-1-carboxylic acid

CAS 155545-02-1Formula C20H24O11Molar mass 440.40 g/mol
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Poliothyrsin chemical structure, C20H24O11, CAS 155545-02-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
155545-02-1
Formula
C20H24O11
Molar mass
440.40 g/mol
HS code
293299
Category
Screening compounds

What is Poliothyrsin?

Plain description, key identifiers and synonyms

Poliothyrsin is a chemical substance with the molecular formula C20H24O11 and a molar mass of 440.40 g/mol. Its CAS registry number is 155545-02-1. The IUPAC name is [5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate
CAS number
155545-02-1
Molecular formula
C20H24O11
InChIKey
CONBSDUUQADCJD-QZFWYPLZSA-N
InChI
InChI=1S/C20H24O11/c21-8-13-15(24)16(25)17(26)18(31-13)30-12-5-4-11(22)7-10(12)9-29-19(27)20(28)6-2-1-3-14(20)23/h2,4-7,13,15-18,21-22,24-26,28H,1,3,8-9H2/t13-,15-,16+,17-,18-,20?/m1/s1
Canonical SMILES
O=C1CCC=CC1(O)C(=O)OCc1cc(O)ccc1OC1OC(CO)C(O)C(O)C1O
Isomeric SMILES
C1CC(=O)C(C=C1)(C(=O)OCC2=C(C=CC(=C2)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O

Synonyms

  • (5-Hydroxy-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)phenyl)methyl (1R)-1-hydroxy-6-oxocyclohex-2-ene-1-carboxylic acid
  • (5-hydroxy-2-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)methyl 1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate
  • (5-Hydroxy-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl (1R)-1-hydroxy-6-oxocyclohex-2-ene-1-carboxylic acid
  • [5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate

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
440.40 g/molcalc.
Exact mass
440.1319 Dacalc.
LogP (octanol/water)
-1.74calc.
Topological polar surface area
183.2 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
11calc.
Rotatable bonds
6calc.
Heavy atoms
31calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.5calc.
Formal charge
0calc.
Stereocentres
6calc.
Lipinski rule of five
Fails (2 violations)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, O=C1CCC=CC1C(=O)OCc1ccccc1OC1CCCCO1

O=C1CCC=CC1C(=O)OCc1ccccc1OC1CCCCO1

3 rings, 24 atoms.

3 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.

Poliothyrsin suppliers

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Poliothyrsin 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

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 Poliothyrsin 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 Poliothyrsin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Poliothyrsin, based on the data on this page

What is Poliothyrsin?

Poliothyrsin is a chemical substance with the molecular formula C20H24O11 and a molar mass of 440.40 g/mol. Its CAS registry number is 155545-02-1. The IUPAC name is [5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate.

What is the CAS number of Poliothyrsin?

The CAS registry number of Poliothyrsin is 155545-02-1.

What is the molecular formula and weight of Poliothyrsin?

The molecular formula of Poliothyrsin is C20H24O11 and its molar mass is 440.40 g/mol.

What is Poliothyrsin used for?

Known uses and roles of Poliothyrsin include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Poliothyrsin hazardous?

No GHS hazard classification for Poliothyrsin 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 Poliothyrsin?

Poliothyrsin 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 Poliothyrsin?

Post a free request on CompoundList and suppliers of Poliothyrsin will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Poliothyrsin?

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

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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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