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Screening compounds

Ascorbigen

Also known as indol-3-ylmethyl-ascorbate, (3S,3aR,6aS)-3,6,6a-trihydroxy-6-(1H-indol-3-ylmethyl)-3,3a-dihydro-2H-furo[3,2-b]furan-5-one, (3aS,6S,6aR)-3,3a,6-trihydroxy-3-(1H-indol-3-ylmethyl)tetrahydrofuro[3,2-b]furan-2(3H)-one

CAS 8075-98-7Formula C15H15NO6Molar mass 305.29 g/mol
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Ascorbigen chemical structure, C15H15NO6, CAS 8075-98-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
8075-98-7
Formula
C15H15NO6
Molar mass
305.29 g/mol
HS code
293499
Category
Screening compounds

What is Ascorbigen?

Plain description, key identifiers and synonyms

Ascorbigen is an indolyl carbohydrate that consists of (3aS,6S,6aR)-3,3a,6-trihydroxy-3-tetrahydrofuro[3,2-b]furan-2-one in which position 3 is substituted by an indol-3-ylmethyl group. Formed from indole-3-carbinol and ascorbic acid in brassica vegetables. It has a role as a metabolite. It is functionally related to a L-ascorbic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3S,3aR,6aS)-3,6,6a-trihydroxy-6-(1H-indol-3-ylmethyl)-3,3a-dihydro-2H-furo[3,2-b]furan-5-one
CAS number
8075-98-7 CAS number cross-checked
Molecular formula
C15H15NO6
UNII
6269HY0G9R
InChIKey
OMSJCIOTCFHSIT-KNUOEEMSSA-N
InChI
InChI=1S/C15H15NO6/c17-11-7-21-15(20)12(11)22-13(18)14(15,19)5-8-6-16-10-4-2-1-3-9(8)10/h1-4,6,11-12,16-17,19-20H,5,7H2/t11-,12+,14?,15-/m0/s1
Canonical SMILES
O=C1OC2C(O)COC2(O)C1(O)Cc1c[nH]c2ccccc12
Isomeric SMILES
C1[C@@H]([C@@H]2[C@](O1)(C(C(=O)O2)(CC3=CNC4=CC=CC=C43)O)O)O

Synonyms

  • indol-3-ylmethyl-ascorbate
  • (3S,3aR,6aS)-3,6,6a-trihydroxy-6-(1H-indol-3-ylmethyl)-3,3a-dihydro-2H-furo[3,2-b]furan-5-one
  • (3aS,6S,6aR)-3,3a,6-trihydroxy-3-(1H-indol-3-ylmethyl)tetrahydrofuro[3,2-b]furan-2(3H)-one
  • (3aS,6S,6aR)-3,3a,6-trihydroxy-3-(1H-indol-3-ylmethyl)tetrahydrofuro(3,2-b)furan-2(3H)-one
  • (3S,3aR,6aS)-3,6,6a-trihydroxy-6-(1H-indol-3-ylmethyl)-3,3a-dihydro-2H-furo(3,2-b)furan-5-one
  • 4,5,8-Trihydroxy-4-(1H-indol-3-ylmethyl)-2,6-dioxabicyclo[3.3.0]octan-3-one
  • (3aS,6S,6aR)-3,3a,6-Trihydroxy-3-[(1H-indol-3-yl)methyl]tetrahydrofuro[3,2-b]furan-2(3H)-one
  • (3AS,6S,6aR)-3-((1H-indol-3-yl)methyl)-3,3a,6-trihydroxytetrahydrofuro[3,2-b]furan-2(3H)-one

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
305.29 g/molcalc.
Exact mass
305.0899 Dacalc.
LogP (octanol/water)
-0.55calc.
Topological polar surface area
112 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
2calc.
Heavy atoms
22calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.4calc.
Formal charge
0calc.
Stereocentres
4calc.
Lipinski rule of five
Passes (0 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=C1OC2CCOC2C1Cc1c[nH]c2ccccc12

O=C1OC2CCOC2C1Cc1c[nH]c2ccccc12

4 rings, 19 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.

Ascorbigen suppliers

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All 3 suppliers

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3 suppliers in 1 country

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Ascorbigen 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

  • 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 Ascorbigen is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Ascorbigen?

Ascorbigen is an indolyl carbohydrate that consists of (3aS,6S,6aR)-3,3a,6-trihydroxy-3-tetrahydrofuro[3,2-b]furan-2-one in which position 3 is substituted by an indol-3-ylmethyl group. Formed from indole-3-carbinol and ascorbic acid in brassica vegetables. It has a role as a metabolite.

What is the CAS number of Ascorbigen?

The CAS registry number of Ascorbigen is 8075-98-7.

What is the molecular formula and weight of Ascorbigen?

The molecular formula of Ascorbigen is C15H15NO6 and its molar mass is 305.29 g/mol.

What is Ascorbigen used for?

Known uses and roles of Ascorbigen include building blocks in research and laboratory, screening compounds in research and laboratory and metabolite.

Is Ascorbigen hazardous?

No GHS hazard classification for Ascorbigen 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 Ascorbigen?

Ascorbigen is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Ascorbigen?

CompoundList lists 3 suppliers of Ascorbigen in India. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Ascorbigen in India?

2 suppliers in India list Ascorbigen on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Ascorbigen?

Suppliers quote Ascorbigen 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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