CompoundList
Sign in
Heterocyclic compounds

Npc248294

Also known as beta-Penta-O-galloyl-D-glucose, 2,3,4,5,6-Pentagalloylglucose, 1,2,3,4,6-Penta-O-galloyl-a-D-glucopyranose

CAS 50678-27-8Formula C41H32O26Molar mass 940.68 g/mol
Get quotes Safety data
Npc248294 chemical structure, C41H32O26, CAS 50678-27-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
50678-27-8
Formula
C41H32O26
Molar mass
940.68 g/mol
HS code
293299
Category
Heterocyclic compounds

What is Npc248294?

Plain description, key identifiers and synonyms

QJYNZEYHSMRWBK-UHFFFAOYSA-N has been reported in Rhoiptelea chiliantha, Euphorbia helioscopia, and other organisms.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[3,4,5,6-tetrakis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
CAS number
50678-27-8Other or deprecated CAS: 70470-10-9
Molecular formula
C41H32O26
InChIKey
QJYNZEYHSMRWBK-UHFFFAOYSA-N
InChI
InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2
SMILES (canonical and isomeric)
C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O

Synonyms

  • beta-Penta-O-galloyl-D-glucose
  • 2,3,4,5,6-Pentagalloylglucose
  • 1,2,3,4,6-Penta-O-galloyl-a-D-glucopyranose
  • penta-O-galloyl-alpha-D-glucopyranose
  • pentagalloyl hexoside
  • 1,2,3,4,6-penta-O-galloyl-D-glucopyranose
  • penta-O-galloyl-beta-d-glucose hydrate
  • 1,2,3,4,6-Penta-O-galloyl-b-D-glucopyranose
  • 1,2,3,4,6-Pentakis-O-(3,4,5-trihydroxybenzoyl)hexopyranose
  • [3,4,5,6-tetrakis[(3,4,5-trihydroxybenzoyl)oxy]tetrahydropyran-2-yl]methyl 3,4,5-trihydroxybenzoate

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
940.68 g/molcalc.
Exact mass
940.1182 Dacalc.
LogP (octanol/water)
1.69calc.
Topological polar surface area
444.2 Ųcalc.
Hydrogen bond donors
15calc.
Hydrogen bond acceptors
26calc.
Rotatable bonds
11calc.
Heavy atoms
67calc.
Rings
6calc.
Aromatic rings
5calc.
Fraction sp3 carbons
0.15calc.
Formal charge
0calc.
Stereocentres
5calc.
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(OCC1OC(OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1)c1ccccc1

O=C(OCC1OC(OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1)c1ccccc1

6 rings, 52 atoms, the [3,4,5,6-Tetrakis(phenylcarbonyloxy)oxan-2-yl]methyl benzoate ring system.

17 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.

Npc248294 suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

No supplier listings yet

Post one free request and suppliers who make or trade Npc248294 can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Npc248294 price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

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 Npc248294 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 Npc248294 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Npc248294, based on the data on this page

What is Npc248294?

QJYNZEYHSMRWBK-UHFFFAOYSA-N has been reported in Rhoiptelea chiliantha, Euphorbia helioscopia, and other organisms.

What is the CAS number of Npc248294?

The CAS registry number of Npc248294 is 50678-27-8. Other or deprecated CAS numbers: 70470-10-9.

What is the molecular formula and weight of Npc248294?

The molecular formula of Npc248294 is C41H32O26 and its molar mass is 940.68 g/mol.

Is Npc248294 hazardous?

No GHS hazard classification for Npc248294 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 Npc248294?

Npc248294 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 Npc248294?

Post a free request on CompoundList and suppliers of Npc248294 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Npc248294?

Suppliers quote Npc248294 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 Npc248294

Get quotes for Npc248294

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Npc248294
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Npc248294 with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/npc248294-50678-27-8" title="Npc248294 structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Heterocyclic compounds or HS code 293299

Price on request
Free quotes, contact stays private
Get quotes