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Screening compounds

Isorhapontin

Also known as (2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol, (2S,3R,4S,5S,6R)-2-(3-Hydroxy-5-((E)-2-(4-Hydroxy-3-Methoxyphenyl)Ethenyl)Phenoxy)-6-(Hydroxymethyl)Oxane-3,4,5-Triol, (2S,3R,4S,5S,6R)-2-(3-Hydroxy-5-((E)-4-hydroxy-3-methoxystyryl)phenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

CAS 32727-29-0Formula C21H24O9Molar mass 420.41 g/molEC 803-509-3
GHS signal word: Warning. Pictograms: Hazardous to the environment
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Isorhapontin chemical structure, C21H24O9, CAS 32727-29-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
32727-29-0
Formula
C21H24O9
Molar mass
420.41 g/mol
EC number
803-509-3
HS code
293299
Category
Screening compounds

What is Isorhapontin?

Plain description, key identifiers and synonyms

Isorhapontin is a glycoside and a stilbenoid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CAS number
32727-29-0 CAS number cross-checked
EC number
803-509-3
Molecular formula
C21H24O9
UNII
BNH6WEN5L8
InChIKey
KLPUXMNQDCUPNO-DXKBKAGUSA-N
InChI
InChI=1S/C21H24O9/c1-28-16-8-11(4-5-15(16)24)2-3-12-6-13(23)9-14(7-12)29-21-20(27)19(26)18(25)17(10-22)30-21/h2-9,17-27H,10H2,1H3/b3-2+/t17-,18-,19+,20-,21-/m1/s1
Canonical SMILES
COc1cc(C=Cc2cc(O)cc(OC3OC(CO)C(O)C(O)C3O)c2)ccc1O
Isomeric SMILES
COC1=C(C=CC(=C1)/C=C/C2=CC(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O

Synonyms

  • (2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
  • (2S,3R,4S,5S,6R)-2-(3-Hydroxy-5-((E)-2-(4-Hydroxy-3-Methoxyphenyl)Ethenyl)Phenoxy)-6-(Hydroxymethyl)Oxane-3,4,5-Triol
  • (2S,3R,4S,5S,6R)-2-(3-Hydroxy-5-((E)-4-hydroxy-3-methoxystyryl)phenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
  • E-Isorhapontin
  • ACon1_001069
  • Isorhapontin, >=95% (LC/MS-ELSD)
  • (2S,3R,4S,5S,6R)-2-{3-hydroxy-5-[(1E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
  • Isorhapontigenin 3-(beta-d-glucopyranoside)
  • 3,4',5-Trihydroxy-3'-methoxystilbene 3-o-beta-d-glucopyranoside
  • 3-Hydroxy-5-[(1E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenyl-?-D-glucopyranoside
  • (2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(E)-2-(4-hydroxy-3-methoxy-phenyl)vinyl]phenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • beta-d-glucopyranoside, 3-hydroxy-5-(2-(4-hydroxy-3-methoxyphenyl)ethenyl)phenyl, (E)-
  • 3-Hydroxy-5-((1E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl)phenyl beta-d-glucopyranoside

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
420.41 g/molcalc.
Exact mass
420.142 Dacalc.
LogP (octanol/water)
0.46calc.
Topological polar surface area
149.1 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
6calc.
Heavy atoms
30calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.33calc.
Formal charge
0calc.
Stereocentres
5calc.
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, C(=Cc1cccc(OC2CCCCO2)c1)c1ccccc1

C(=Cc1cccc(OC2CCCCO2)c1)c1ccccc1

3 rings, 21 atoms.

21 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS09: Hazardous to the environment
Hazardous to the environment

Hazard statements

  • H400Very toxic to aquatic life.
  • H410Very toxic to aquatic life with long lasting effects.
Precautionary statements (3)
  • P273Avoid release to the environment.
  • P391Collect spillage.
  • P501Dispose of contents and container in accordance with local regulations.

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

Full safety data and first aid

Isorhapontin suppliers

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Isorhapontin price

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

Frequently asked questions

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

What is Isorhapontin?

Isorhapontin is a glycoside and a stilbenoid.

What is the CAS number of Isorhapontin?

The CAS registry number of Isorhapontin is 32727-29-0.

What is the molecular formula and weight of Isorhapontin?

The molecular formula of Isorhapontin is C21H24O9 and its molar mass is 420.41 g/mol.

What is Isorhapontin used for?

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

Is Isorhapontin hazardous?

Isorhapontin carries the GHS signal word "Warning". Main hazards: very toxic to aquatic life, very toxic to aquatic life with long lasting effects. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Isorhapontin?

Isorhapontin 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 Isorhapontin?

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What is the price of Isorhapontin?

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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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