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Structure II

Also known as Mycophenolate Mofetil Impurity 17, 7-hydroxy-6-(2-hydroxy-2-(2-methyl-5-oxotetrahydrofuran-2-yl)ethyl)-5-methoxy-4-methylisobenzofuran-1(3H)-one, 7-hydroxy-6-[2-hydroxy-2-(2-methyl-5-oxooxolan-2-yl)ethyl]-5-methoxy-4-methyl-3H-2-benzouran-1-one

CAS 26644-06-4Formula C17H20O7Molar mass 336.34 g/mol
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Structure II chemical structure, C17H20O7, CAS 26644-06-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
26644-06-4
Formula
C17H20O7
Molar mass
336.34 g/mol
HS code
293220
Category
Impurities and reference standards

What is Structure II?

Plain description, key identifiers and synonyms

Structure II is a member of 2-benzofurans.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
7-hydroxy-6-[2-hydroxy-2-(2-methyl-5-oxooxolan-2-yl)ethyl]-5-methoxy-4-methyl-3H-2-benzofuran-1-one
CAS number
26644-06-4
Molecular formula
C17H20O7
InChIKey
WSNMPAVSZJSIMT-UHFFFAOYSA-N
InChI
InChI=1S/C17H20O7/c1-8-10-7-23-16(21)13(10)14(20)9(15(8)22-3)6-11(18)17(2)5-4-12(19)24-17/h11,18,20H,4-7H2,1-3H3
SMILES (canonical and isomeric)
CC1=C2COC(=O)C2=C(C(=C1OC)CC(C3(CCC(=O)O3)C)O)O

Synonyms

  • Mycophenolate Mofetil Impurity 17
  • 7-hydroxy-6-(2-hydroxy-2-(2-methyl-5-oxotetrahydrofuran-2-yl)ethyl)-5-methoxy-4-methylisobenzofuran-1(3H)-one
  • 7-hydroxy-6-[2-hydroxy-2-(2-methyl-5-oxooxolan-2-yl)ethyl]-5-methoxy-4-methyl-3H-2-benzouran-1-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
336.34 g/molcalc.
Exact mass
336.1209 Dacalc.
LogP (octanol/water)
1.38calc.
Topological polar surface area
102.3 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
4calc.
Heavy atoms
24calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.53calc.
Formal charge
0calc.
Stereocentres
2calc.
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=C1CCC(CCc2ccc3c(c2)C(=O)OC3)O1

O=C1CCC(CCc2ccc3c(c2)C(=O)OC3)O1

3 rings, 18 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.

Structure II suppliers

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Structure II 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 Structure II is traded under.

HS 2932.20Indicative HS code

Lactones

World exports in 2024
$1.97B
−4.7% vs 2023, imports $2.07B
2019 to 2024
Top exporters
  1. China56.3%
  2. India * partner reported7.4%
  3. Germany7.3%
Top importers
  1. United States14.2%
  2. India * partner reported13.5%
  3. Brazil8.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Structure II, based on the data on this page

What is Structure II?

Structure II is a member of 2-benzofurans.

What is the CAS number of Structure II?

The CAS registry number of Structure II is 26644-06-4.

What is the molecular formula and weight of Structure II?

The molecular formula of Structure II is C17H20O7 and its molar mass is 336.34 g/mol.

Is Structure II hazardous?

No GHS hazard classification for Structure II 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 Structure II?

Structure II is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Structure II?

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What is the price of Structure II?

Suppliers quote Structure II 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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