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Screening compounds

Npc7753

Also known as Protocatechuic acid 3-O-|A-D-glucopyranoside, Protocatechuic acid 3-glucoside, Protocatechuic acid-3-glucoside

CAS 20300-54-3Formula C13H16O9Molar mass 316.26 g/mol
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Npc7753 chemical structure, C13H16O9, CAS 20300-54-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
20300-54-3
Formula
C13H16O9
Molar mass
316.26 g/mol
HS code
293299
Category
Screening compounds

What is Npc7753?

Plain description, key identifiers and synonyms

Protocatechuic acid 3-glucoside is a tannin.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid
CAS number
20300-54-3
Molecular formula
C13H16O9
InChIKey
ZABGRNGGJZBHDJ-BZNQNGANSA-N
InChI
InChI=1S/C13H16O9/c14-4-8-9(16)10(17)11(18)13(22-8)21-7-3-5(12(19)20)1-2-6(7)15/h1-3,8-11,13-18H,4H2,(H,19,20)/t8-,9-,10+,11-,13-/m1/s1
Canonical SMILES
O=C(O)c1ccc(O)c(OC2OC(CO)C(O)C(O)C2O)c1
Isomeric SMILES
C1=CC(=C(C=C1C(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O

Synonyms

  • Protocatechuic acid 3-O-|A-D-glucopyranoside
  • Protocatechuic acid 3-glucoside
  • Protocatechuic acid-3-glucoside
  • protoeatechuic acid-3-O-glucose
  • Protocatechuic acid 3-o-beta-d-glucoside
  • 4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic 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
316.26 g/molcalc.
Exact mass
316.0794 Dacalc.
LogP (octanol/water)
-1.73calc.
Topological polar surface area
156.9 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
4calc.
Heavy atoms
22calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.46calc.
Formal charge
0calc.
Stereocentres
5calc.
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, c1ccc(OC2CCCCO2)cc1

c1ccc(OC2CCCCO2)cc1

2 rings, 13 atoms, the 2H-Pyran, tetrahydro-2-phenoxy- ring system.

1,051 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.

Npc7753 suppliers

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Npc7753 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 Npc7753 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 Npc7753 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Npc7753, based on the data on this page

What is Npc7753?

Protocatechuic acid 3-glucoside is a tannin.

What is the CAS number of Npc7753?

The CAS registry number of Npc7753 is 20300-54-3.

What is the molecular formula and weight of Npc7753?

The molecular formula of Npc7753 is C13H16O9 and its molar mass is 316.26 g/mol.

What is Npc7753 used for?

Known uses and roles of Npc7753 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Npc7753 hazardous?

No GHS hazard classification for Npc7753 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 Npc7753?

Npc7753 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 Npc7753?

Post a free request on CompoundList and suppliers of Npc7753 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Npc7753?

Suppliers quote Npc7753 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 Npc7753

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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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