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Glycosides and other natural products

Apterin

Also known as (8S,9R)-9-hydroxy-8-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-8,9-dihydrofuro[2,3-h]chromen-2-one, (8S,9R)-9-hydroxy-8-(2-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxypropan-2-yl)-8,9-dihydrofuro(2,3-h)chromen-2-one, (8S,9R)-9-hydroxy-8-[1-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-ethyl]-8,9-dihydrofuro[2,3-h]chromen-2-one

CAS 53947-89-0Formula C20H24O10Molar mass 424.40 g/mol
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Apterin chemical structure, C20H24O10, CAS 53947-89-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
53947-89-0
Formula
C20H24O10
Molar mass
424.40 g/mol
HS code
293890
Category
Glycosides and other natural products

What is Apterin?

Plain description, key identifiers and synonyms

Apterin is a furanocoumarin.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(8S,9R)-9-hydroxy-8-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-8,9-dihydrofuro[2,3-h]chromen-2-one
CAS number
53947-89-0 CAS number cross-checked
Molecular formula
C20H24O10
InChIKey
ALEQYOXVXJKFOM-KTZZUYPUSA-N
InChI
InChI=1S/C20H24O10/c1-20(2,30-19-16(26)15(25)13(23)10(7-21)28-19)18-14(24)12-9(27-18)5-3-8-4-6-11(22)29-17(8)12/h3-6,10,13-16,18-19,21,23-26H,7H2,1-2H3/t10-,13-,14-,15+,16-,18+,19+/m1/s1
Canonical SMILES
CC(C)(OC1OC(CO)C(O)C(O)C1O)C1Oc2ccc3ccc(=O)oc3c2C1O
Isomeric SMILES
CC(C)([C@@H]1[C@@H](C2=C(O1)C=CC3=C2OC(=O)C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

Synonyms

  • (8S,9R)-9-hydroxy-8-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-8,9-dihydrofuro[2,3-h]chromen-2-one
  • (8S,9R)-9-hydroxy-8-(2-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxypropan-2-yl)-8,9-dihydrofuro(2,3-h)chromen-2-one
  • (8S,9R)-9-hydroxy-8-[1-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-ethyl]-8,9-dihydrofuro[2,3-h]chromen-2-one
  • (8S,9R)-9-hydroxy-8-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-8,9-dihydrouro[2,3-h]chromen-2-one
  • 2-[(8S,9R)-9-Hydroxy-2-oxo-8,9-dihydro-2H-furo[2,3-h][1]benzopyran-8-yl]propan-2-yl 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
424.40 g/molcalc.
Exact mass
424.1369 Dacalc.
LogP (octanol/water)
-0.82calc.
Topological polar surface area
159.1 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
4calc.
Heavy atoms
30calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.55calc.
Formal charge
0calc.
Stereocentres
7calc.
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=c1ccc2ccc3c(c2o1)CC(COC1CCCCO1)O3

O=c1ccc2ccc3c(c2o1)CC(COC1CCCCO1)O3

4 rings, 22 atoms.

2 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.

Apterin suppliers

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Apterin 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 Apterin is traded under.

HS 2938.90Indicative HS code

Natural or reproduced by synthesis, other than rutoside (rutin) and its derivatives

World exports in 2024
$1.4B
−8.3% vs 2023, imports $1.35B
2019 to 2024
Top exporters
  1. China49.2%
  2. France * partner reported8.9%
  3. Malaysia6.1%
Top importers
  1. United States22.3%
  2. India * partner reported7.8%
  3. Brazil5.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Apterin?

Apterin is a furanocoumarin.

What is the CAS number of Apterin?

The CAS registry number of Apterin is 53947-89-0.

What is the molecular formula and weight of Apterin?

The molecular formula of Apterin is C20H24O10 and its molar mass is 424.40 g/mol.

Is Apterin hazardous?

No GHS hazard classification for Apterin 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 Apterin?

Apterin is usually classified under HS code 293890 (Glycosides, natural or reproduced by synthesis, and their salts, ethers, esters and…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Apterin?

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What is the price of Apterin?

Suppliers quote Apterin 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 Apterin

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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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