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Screening compounds

Valoneic acid

Also known as Valoneaic acid, Diphenic acid, 4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4,5,5,6,6-pentahydroxy-, (1,1-Biphenyl)-2,2-dicarboxylic acid, 4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4,5,5,6,6-pentahydroxy-

CAS 517-54-4Formula C21H14O15Molar mass 506.33 g/mol
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Valoneic acid chemical structure, C21H14O15, CAS 517-54-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
517-54-4
Formula
C21H14O15
Molar mass
506.33 g/mol
HS code
291899
Category
Screening compounds

What is Valoneic acid?

Plain description, key identifiers and synonyms

4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy-[1,1'-biphenyl]-2,2'-dicarboxylic acid is a tannin.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[6-carboxy-4-(6-carboxy-2,3,4-trihydroxyphenoxy)-2,3-dihydroxyphenyl]-3,4,5-trihydroxybenzoic acid
CAS number
517-54-4 CAS number cross-checked
Molecular formula
C21H14O15
UNII
G4WG3M7WNB
InChIKey
RUOFGJLCWJUJRS-UHFFFAOYSA-N
InChI
InChI=1S/C21H14O15/c22-7-1-4(19(30)31)10(15(27)12(7)24)11-5(20(32)33)3-9(14(26)16(11)28)36-18-6(21(34)35)2-8(23)13(25)17(18)29/h1-3,22-29H,(H,30,31)(H,32,33)(H,34,35)
SMILES (canonical and isomeric)
C1=C(C(=C(C(=C1O)O)O)C2=C(C(=C(C=C2C(=O)O)OC3=C(C(=C(C=C3C(=O)O)O)O)O)O)O)C(=O)O

Synonyms

  • Valoneaic acid
  • Diphenic acid, 4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4,5,5,6,6-pentahydroxy-
  • (1,1-Biphenyl)-2,2-dicarboxylic acid, 4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4,5,5,6,6-pentahydroxy-
  • 4-(6-Carboxy-2,3,4-trihydroxyphenoxy)-4,5,5,6,6-pentahydroxy(1,1-biphenyl)-2,2-dicarboxylic acid
  • 4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy-[1,1'-biphenyl]-2,2'-dicarboxylic acid
  • 2-[6-carboxy-4-(6-carboxy-2,3,4-trihydroxyphenoxy)-2,3-dihydroxyphenyl]-3,4,5-trihydroxybenzoic acid
  • 4-(6-Carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy[1,1'-biphenyl]-2,2'-dicarboxylic acid

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
506.33 g/molcalc.
Exact mass
506.0333 Dacalc.
LogP (octanol/water)
1.89calc.
Topological polar surface area
283 Ųcalc.
Hydrogen bond donors
11calc.
Hydrogen bond acceptors
12calc.
Rotatable bonds
6calc.
Heavy atoms
36calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0calc.
Formal charge
0calc.
Stereocentres
0calc.
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, c1ccc(Oc2ccc(-c3ccccc3)cc2)cc1

c1ccc(Oc2ccc(-c3ccccc3)cc2)cc1

3 rings, 19 atoms, the 1-Phenoxy-4-phenylbenzene ring system.

72 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.

Valoneic acid suppliers

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Valoneic acid 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 Valoneic acid is traded under.

HS 2918.99Indicative HS code

Carboxylic acids, with additional oxygen function (not alcohol, phenol, aldehyde or ketone)…

World exports in 2024
$1.46B
−1.1% vs 2023, imports $1.54B
2019 to 2024
Top exporters
  1. China40.0%
  2. India * partner reported26.6%
  3. Germany8.0%
Top importers
  1. United States25.6%
  2. Brazil6.7%
  3. Argentina5.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Valoneic acid, based on the data on this page

What is Valoneic acid?

4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy-[1,1'-biphenyl]-2,2'-dicarboxylic acid is a tannin.

What is the CAS number of Valoneic acid?

The CAS registry number of Valoneic acid is 517-54-4.

What is the molecular formula and weight of Valoneic acid?

The molecular formula of Valoneic acid is C21H14O15 and its molar mass is 506.33 g/mol.

What is Valoneic acid used for?

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

Is Valoneic acid hazardous?

No GHS hazard classification for Valoneic acid 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 Valoneic acid?

Valoneic acid is usually classified under HS code 291899 (Carboxylic acids with additional oxygen function and their anhydrides, halides…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Valoneic acid?

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

What is the price of Valoneic acid?

Suppliers quote Valoneic acid 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 Valoneic acid

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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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