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Lipids and fatty acids

Orb2564083

Formula C36H45NO17Molar mass 763.75 g/mol
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Orb2564083 chemical structure, C36H45NO17
2D chemical structure

Key facts

What buyers check first

All properties
Formula
C36H45NO17
Molar mass
763.75 g/mol
HS code
293499
Category
Lipids and fatty acids

What is Orb2564083?

Plain description, key identifiers and synonyms

Orb2564083 is a chemical substance with the molecular formula C36H45NO17 and a molar mass of 763.75 g/mol. The IUPAC name is [(1S,3R,13S,14S,17S,18R,19R,20R,21S,22R,23S,25S)-18,19,21,22-tetraacetyloxy-24,25-dihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-20-yl]methyl acetate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1S,3R,13S,14S,17S,18R,19R,20R,21S,22R,23S,25S)-18,19,21,22-tetraacetyloxy-24,25-dihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-20-yl]methyl acetate
Molecular formula
C36H45NO17
InChIKey
NKTOESKXBIEREY-UFVATRKSSA-N
InChI
InChI=1S/C36H45NO17/c1-15-16(2)31(44)53-28-26(50-19(5)40)30(52-21(7)42)35(14-47-17(3)38)29(51-20(6)41)25(49-18(4)39)23-27(43)36(35,34(28,9)46)54-33(23,8)13-48-32(45)22-11-10-12-37-24(15)22/h10-12,15-16,23,25-30,43,46H,13-14H2,1-9H3/t15-,16-,23+,25+,26-,27?,28-,29+,30-,33-,34-,35+,36-/m0/s1
Canonical SMILES
CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)C3C(O)C14OC3(C)COC(=O)c1cccnc1C(C)C(C)C(=O)OC(C(OC(C)=O)C2OC(C)=O)C4(C)O
Isomeric SMILES
C[C@H]1[C@@H](C(=O)O[C@H]2[C@@H]([C@@H]([C@]3([C@@H]([C@@H]([C@@H]4C([C@@]3([C@@]2(C)O)O[C@]4(COC(=O)C5=C1N=CC=C5)C)O)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C

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
763.75 g/molcalc.
Exact mass
763.2687 Dacalc.
LogP (octanol/water)
0.46calc.
Topological polar surface area
246.7 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
18calc.
Rotatable bonds
6calc.
Heavy atoms
54calc.
Rings
5calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.67calc.
Formal charge
0calc.
Stereocentres
13calc.
Lipinski rule of five
Fails (2 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=C1CCc2ncccc2C(=O)OCC2OC34CC(CCC3CCC2C4)O1

O=C1CCc2ncccc2C(=O)OCC2OC34CC(CCC3CCC2C4)O1

5 rings, 27 atoms.

12 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.

Orb2564083 suppliers

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Orb2564083 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 Orb2564083 is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Orb2564083 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb2564083, based on the data on this page

What is Orb2564083?

Orb2564083 is a chemical substance with the molecular formula C36H45NO17 and a molar mass of 763.75 g/mol.

What is the molecular formula and weight of Orb2564083?

The molecular formula of Orb2564083 is C36H45NO17 and its molar mass is 763.75 g/mol.

What is Orb2564083 used for?

Known uses and roles of Orb2564083 include cooling agents in flavors and fragrances.

Is Orb2564083 hazardous?

No GHS hazard classification for Orb2564083 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 Orb2564083?

Orb2564083 is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb2564083?

Post a free request on CompoundList and suppliers of Orb2564083 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb2564083?

Suppliers quote Orb2564083 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 Orb2564083

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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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