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Heterocyclic building blocks

Pfb-fdg

CAS 209540-64-7Formula C39H32F5NO16Molar mass 865.67 g/mol
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Pfb-fdg chemical structure, C39H32F5NO16, CAS 209540-64-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
209540-64-7
Formula
C39H32F5NO16
Molar mass
865.67 g/mol
HS code
293220
Category
Heterocyclic building blocks

What is Pfb-fdg?

Plain description, key identifiers and synonyms

Pfb-fdg is a chemical substance with the molecular formula C39H32F5NO16 and a molar mass of 865.67 g/mol. Its CAS registry number is 209540-64-7. The IUPAC name is 2,3,4,5,6-pentafluoro-N-[3-oxo-3',6'-bis[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]spiro[2-benzofuran-1,9'-xanthene]-5-yl]benzamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2,3,4,5,6-pentafluoro-N-[3-oxo-3',6'-bis[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]spiro[2-benzofuran-1,9'-xanthene]-5-yl]benzamide
CAS number
209540-64-7
Molecular formula
C39H32F5NO16
InChIKey
YYMJMZGTQFITLS-QBMVDMLASA-N
InChI
InChI=1S/C39H32F5NO16/c40-24-23(25(41)27(43)28(44)26(24)42)35(54)45-12-1-4-16-15(7-12)36(55)61-39(16)17-5-2-13(56-37-33(52)31(50)29(48)21(10-46)59-37)8-19(17)58-20-9-14(3-6-18(20)39)57-38-34(53)32(51)30(49)22(11-47)60-38/h1-9,21-22,29-34,37-38,46-53H,10-11H2,(H,45,54)/t21-,22-,29+,30+,31+,32+,33-,34-,37-,38-/m1/s1
Canonical SMILES
O=C1OC2(c3ccc(OC4OC(CO)C(O)C(O)C4O)cc3Oc3cc(OC4OC(CO)C(O)C(O)C4O)ccc32)c2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc21
Isomeric SMILES
C1=CC2=C(C=C1NC(=O)C3=C(C(=C(C(=C3F)F)F)F)F)C(=O)OC24C5=C(C=C(C=C5)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)OC7=C4C=CC(=C7)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O

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
865.67 g/molcalc.
Exact mass
865.1641 Dacalc.
LogP (octanol/water)
0.56calc.
Topological polar surface area
263.4 Ųcalc.
Hydrogen bond donors
9calc.
Hydrogen bond acceptors
16calc.
Rotatable bonds
8calc.
Heavy atoms
61calc.
Rings
8calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.33calc.
Formal charge
0calc.
Stereocentres
10calc.
Lipinski rule of five
Fails (3 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=C(Nc1ccc2c(c1)C(=O)OC21c2ccc(OC3CCCCO3)cc2Oc2cc(OC3CCCCO3)ccc21)c1ccccc1

O=C(Nc1ccc2c(c1)C(=O)OC21c2ccc(OC3CCCCO3)cc2Oc2cc(OC3CCCCO3)ccc21)c1ccccc1

8 rings, 46 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.

Pfb-fdg suppliers

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

Frequently asked questions

Quick answers about Pfb-fdg, based on the data on this page

What is Pfb-fdg?

Pfb-fdg is a chemical substance with the molecular formula C39H32F5NO16 and a molar mass of 865.67 g/mol. Its CAS registry number is 209540-64-7. The IUPAC name is 2,3,4,5,6-pentafluoro-N-[3-oxo-3',6'-bis[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]spiro[2-benzofuran-1,9'-xanthene]-5-yl]benzamide.

What is the CAS number of Pfb-fdg?

The CAS registry number of Pfb-fdg is 209540-64-7.

What is the molecular formula and weight of Pfb-fdg?

The molecular formula of Pfb-fdg is C39H32F5NO16 and its molar mass is 865.67 g/mol.

What is Pfb-fdg used for?

Known uses and roles of Pfb-fdg include building blocks in research and laboratory.

Is Pfb-fdg hazardous?

No GHS hazard classification for Pfb-fdg 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 Pfb-fdg?

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

Where can I buy Pfb-fdg?

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

What is the price of Pfb-fdg?

Suppliers quote Pfb-fdg 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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