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Heterocyclic building blocks

Calystegine C2

Also known as 2-epi-Calystegine C1, (1R,2R,3R,4S,5R,6R)-8-azabicyclo[3.2.1]octane-1,2,3,4,6-pentol, 8-Azabicyclo(3.2.1)octane-1,2,3,4,6-pentol, (1R,2R,3R,4S,5R,6R)-

CAS 190957-44-9Formula C7H13NO5Molar mass 191.18 g/mol
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Calystegine C2 chemical structure, C7H13NO5, CAS 190957-44-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
190957-44-9
Formula
C7H13NO5
Molar mass
191.18 g/mol
HS code
293399
Category
Heterocyclic building blocks

What is Calystegine C2?

Plain description, key identifiers and synonyms

Calystegine C2 has been reported in Duboisia leichhardtii.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,2R,3R,4S,5R,6R)-8-azabicyclo[3.2.1]octane-1,2,3,4,6-pentol
CAS number
190957-44-9
Molecular formula
C7H13NO5
InChIKey
GGOJRYWHKVYFQK-AGZHHQKVSA-N
InChI
InChI=1S/C7H13NO5/c9-2-1-7(13)6(12)5(11)4(10)3(2)8-7/h2-6,8-13H,1H2/t2-,3-,4+,5-,6-,7-/m1/s1
Canonical SMILES
OC1CC2(O)NC1C(O)C(O)C2O
Isomeric SMILES
C1[C@H]([C@@H]2[C@@H]([C@H]([C@H]([C@]1(N2)O)O)O)O)O

Synonyms

  • 2-epi-Calystegine C1
  • (1R,2R,3R,4S,5R,6R)-8-azabicyclo[3.2.1]octane-1,2,3,4,6-pentol
  • 8-Azabicyclo(3.2.1)octane-1,2,3,4,6-pentol, (1R,2R,3R,4S,5R,6R)-
  • (1R,2R,3R,4S,5R,6R)-8-azabicyclo(3.2.1)octane-1,2,3,4,6-pentol
  • (1R,2R,3R,4S,5R,6R)-8-Azabicyclo[3.2.1]octane-1,2,3,4,6-pentaol

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
191.18 g/molcalc.
Exact mass
191.0794 Dacalc.
LogP (octanol/water)
-3.51calc.
Topological polar surface area
113.2 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
0calc.
Heavy atoms
13calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
Formal charge
0calc.
Stereocentres
6calc.
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, C1CC2CCC(C1)N2

C1CC2CCC(C1)N2

2 rings, 8 atoms, the 8-Azabicyclo(3.2.1)octane ring system.

1,015 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.

Calystegine C2 suppliers

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Calystegine C2 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 Calystegine C2 is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

The HS code shown for Calystegine C2 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Calystegine C2, based on the data on this page

What is Calystegine C2?

Calystegine C2 has been reported in Duboisia leichhardtii.

What is the CAS number of Calystegine C2?

The CAS registry number of Calystegine C2 is 190957-44-9.

What is the molecular formula and weight of Calystegine C2?

The molecular formula of Calystegine C2 is C7H13NO5 and its molar mass is 191.18 g/mol.

What is Calystegine C2 used for?

Known uses and roles of Calystegine C2 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Calystegine C2 hazardous?

No GHS hazard classification for Calystegine C2 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 Calystegine C2?

Calystegine C2 is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Calystegine C2?

Post a free request on CompoundList and suppliers of Calystegine C2 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Calystegine C2?

Suppliers quote Calystegine C2 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 Calystegine C2

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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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