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Screening compounds

Passisuberosin

Also known as 2-(Hexopyranosyloxy)-4-hydroxy-6-oxabicyclo[3.1.0]hexane-2-carbonitrile, 2-(beta-D-glucopyranosyloxy)-4-hydroxy-6-oxabicyclo[3.1.0]hexane-2-carbonitrile, 6-Oxabicyclo(3.1.0)hexane-2-carbonitrile, 2-(beta-D-glucopyranosyloxy)-4-hydroxy-

CAS 109852-93-9Formula C12H17NO8Molar mass 303.27 g/mol
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Passisuberosin chemical structure, C12H17NO8, CAS 109852-93-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
109852-93-9
Formula
C12H17NO8
Molar mass
303.27 g/mol
HS code
293299
Category
Screening compounds

What is Passisuberosin?

Plain description, key identifiers and synonyms

Passisuberosin is a chemical substance with the molecular formula C12H17NO8 and a molar mass of 303.27 g/mol. Its CAS registry number is 109852-93-9. The IUPAC name is 4-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-oxabicyclo[3.1.0]hexane-2-carbonitrile.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-oxabicyclo[3.1.0]hexane-2-carbonitrile
CAS number
109852-93-9 CAS number cross-checked
Molecular formula
C12H17NO8
InChIKey
CDFHUZRDGPRGDK-LOUUASQKSA-N
InChI
InChI=1S/C12H17NO8/c13-3-12(1-4(15)9-10(12)20-9)21-11-8(18)7(17)6(16)5(2-14)19-11/h4-11,14-18H,1-2H2/t4?,5-,6-,7+,8-,9?,10?,11+,12?/m1/s1
SMILES
C1C(C2C(C1(C#N)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O2)O

Synonyms

  • 2-(Hexopyranosyloxy)-4-hydroxy-6-oxabicyclo[3.1.0]hexane-2-carbonitrile
  • 2-(beta-D-glucopyranosyloxy)-4-hydroxy-6-oxabicyclo[3.1.0]hexane-2-carbonitrile
  • 6-Oxabicyclo(3.1.0)hexane-2-carbonitrile, 2-(beta-D-glucopyranosyloxy)-4-hydroxy-

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
303.27 g/molcalc.
Exact mass
303.0954 Dacalc.
LogP (octanol/water)
-3.4calc.
Topological polar surface area
155.9 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
3calc.
Heavy atoms
21calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.92calc.
Formal charge
0calc.
Stereocentres
9calc.
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, C1CCC(OC2CCC3OC23)OC1

C1CCC(OC2CCC3OC23)OC1

3 rings, 13 atoms.

No other chemical in our database has 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.

Passisuberosin suppliers

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

Frequently asked questions

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

What is Passisuberosin?

Passisuberosin is a chemical substance with the molecular formula C12H17NO8 and a molar mass of 303.27 g/mol. Its CAS registry number is 109852-93-9. The IUPAC name is 4-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-oxabicyclo[3.1.0]hexane-2-carbonitrile.

What is the CAS number of Passisuberosin?

The CAS registry number of Passisuberosin is 109852-93-9.

What is the molecular formula and weight of Passisuberosin?

The molecular formula of Passisuberosin is C12H17NO8 and its molar mass is 303.27 g/mol.

What is Passisuberosin used for?

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

Is Passisuberosin hazardous?

No GHS hazard classification for Passisuberosin 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 Passisuberosin?

Passisuberosin 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 Passisuberosin?

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What is the price of Passisuberosin?

Suppliers quote Passisuberosin 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

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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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