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Heterocyclic building blocks

Progoitrin

Also known as Glucorapiferin, 2(R)-Hydroxy-3-butenyl glucosinolate, [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (3R)-3-hydroxy-N-sulfooxypent-4-enimidothioate

CAS 585-95-5Formula C11H19NO10S2Molar mass 389.40 g/molEC 805-230-2
GHS signal word: Warning. Pictograms: Harmful or irritant 1 supplier listed
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Progoitrin chemical structure, C11H19NO10S2, CAS 585-95-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
585-95-5
Formula
C11H19NO10S2
Molar mass
389.40 g/mol
EC number
805-230-2
HS code
293299
Category
Heterocyclic building blocks

What is Progoitrin?

Plain description, key identifiers and synonyms

Progoitrin is the stereoisomer of -progoitrin that has R at the carbon bearing the allylic hydroxy group. It has a role as a plant metabolite. It is a conjugate acid of a progoitrin(1-).

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (3R)-3-hydroxy-N-sulfooxypent-4-enimidothioate
CAS number
585-95-5 CAS number cross-checked
EC number
805-230-2
Molecular formula
C11H19NO10S2
UNII
S27T66W417
InChIKey
MYHSVHWQEVDFQT-ILPXZUKPSA-N
InChI
InChI=1S/C11H19NO10S2/c1-2-5(14)3-7(12-22-24(18,19)20)23-11-10(17)9(16)8(15)6(4-13)21-11/h2,5-6,8-11,13-17H,1,3-4H2,(H,18,19,20)/t5-,6+,8+,9-,10+,11-/m0/s1
Canonical SMILES
C=CC(O)CC(=NOS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1O
Isomeric SMILES
C=C[C@@H](CC(=NOS(=O)(=O)O)S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O

Synonyms

  • Glucorapiferin
  • 2(R)-Hydroxy-3-butenyl glucosinolate
  • [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (3R)-3-hydroxy-N-sulfooxypent-4-enimidothioate
  • 2(R)-2-Hydroxy-3-butenyl glucosinolate
  • ((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl) (3R)-3-hydroxy-N-sulfooxypent-4-enimidothioate
  • (R)-2-Hydroxy-3-butenyl glucosinolate
  • 1-S-[(3R)-3-hydroxy-N-(sulfooxy)pent-4-enimidoyl]-1-thio-beta-D-glucopyranose
  • (R)-Progoitrin
  • 2-hydroxy-3-butenyl glucosinolate, PRO
  • ((((R)-3-hydroxy-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)pent-4-en-1-ylidene)amino)oxy)sulfonic acid
  • Progoitrin ((2R)-Hydroxybut-3-enyl-GS)
  • 1-S-[3-Hydroxy-N-(sulfooxy)pent-4-enimidoyl]-1-thiohexopyranose
  • beta-d-glucopyranose, 1-thio-, 1-((3R)-3-hydroxy-N-(sulfooxy)-4-pentenimidate)
  • beta-D-Glucopyranose, 1-thio-, 1-((3R)-3-hydroxy-N-(sulfooxy)-4-pentenimidate
  • beta-D-Glucopyranose, 1-thio-, 1-(3-hydroxy-N-(sulfooxy)-4-pentenimidate), (R)-
  • [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (3R)-3-hydroxy-N-sulfooxy-pent-4-enimidothioate
  • Glucopyranose, 1-thio-, 1-((R)-3-hydroxy-4-pentenohydroximate) NO-(hydrogen sulfate), beta-D-

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
389.40 g/molcalc.
Exact mass
389.045 Dacalc.
LogP (octanol/water)
-2.41calc.
Topological polar surface area
186.3 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
11calc.
Rotatable bonds
7calc.
Heavy atoms
24calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.73calc.
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, C1CCOCC1

C1CCOCC1

1 ring, 6 atoms, the Tetrahydropyran ring system.

12,069 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H317May cause an allergic skin reaction.
Precautionary statements (8)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P272Contaminated work clothing should not be allowed out of the workplace.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P333 + P317If skin irritation or rash occurs: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • 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

Progoitrin suppliers

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Progoitrin 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

Roles

  • eukaryotic metabolite
  • metabolite
  • plant metabolite

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

Frequently asked questions

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

What is Progoitrin?

Progoitrin is the stereoisomer of -progoitrin that has R at the carbon bearing the allylic hydroxy group. It has a role as a plant metabolite. It is a conjugate acid of a progoitrin(1-).

What is the CAS number of Progoitrin?

The CAS registry number of Progoitrin is 585-95-5.

What is the molecular formula and weight of Progoitrin?

The molecular formula of Progoitrin is C11H19NO10S2 and its molar mass is 389.40 g/mol.

What is Progoitrin used for?

Known uses and roles of Progoitrin include building blocks in research and laboratory, eukaryotic metabolite, metabolite and plant metabolite.

Is Progoitrin hazardous?

Progoitrin carries the GHS signal word "Warning". Main hazards: may cause an allergic skin reaction. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Progoitrin?

Progoitrin 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 Progoitrin?

CompoundList lists 1 supplier of Progoitrin in United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Progoitrin?

Suppliers quote Progoitrin 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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