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Nucleosides and nucleotides

Orb3024076

CAS 22976-89-2Formula C17H25N5O12Molar mass 491.41 g/mol
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Orb3024076 chemical structure, C17H25N5O12, CAS 22976-89-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
22976-89-2
Formula
C17H25N5O12
Molar mass
491.41 g/mol
HS code
293499
Category
Nucleosides and nucleotides

What is Orb3024076?

Plain description, key identifiers and synonyms

Polyoxin J is a dipeptide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S)-2-[[(2S,3S,4S)-2-amino-5-carbamoyloxy-3,4-dihydroxypentanoyl]amino]-2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]acetic acid
CAS number
22976-89-2
Molecular formula
C17H25N5O12
InChIKey
MUIVXLDDXLZVGN-YVKGXWRCSA-N
InChI
InChI=1S/C17H25N5O12/c1-4-2-22(17(32)21-12(4)27)14-10(26)9(25)11(34-14)7(15(29)30)20-13(28)6(18)8(24)5(23)3-33-16(19)31/h2,5-11,14,23-26H,3,18H2,1H3,(H2,19,31)(H,20,28)(H,29,30)(H,21,27,32)/t5-,6-,7-,8+,9-,10+,11+,14+/m0/s1
Canonical SMILES
Cc1cn(C2OC(C(NC(=O)C(N)C(O)C(O)COC(N)=O)C(=O)O)C(O)C2O)c(=O)[nH]c1=O
Isomeric SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)[C@@H](C(=O)O)NC(=O)[C@H]([C@@H]([C@H](COC(=O)N)O)O)N)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
491.41 g/molcalc.
Exact mass
491.15 Dacalc.
LogP (octanol/water)
-5.82calc.
Topological polar surface area
289.8 Ųcalc.
Hydrogen bond donors
9calc.
Hydrogen bond acceptors
12calc.
Rotatable bonds
9calc.
Heavy atoms
34calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.59calc.
Formal charge
0calc.
Stereocentres
8calc.
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=c1ccn(C2CCCO2)c(=O)[nH]1

O=c1ccn(C2CCCO2)c(=O)[nH]1

2 rings, 13 atoms, the Tetrahydrofuryluracil ring system.

3,051 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.

Orb3024076 suppliers

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Orb3024076 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

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 Orb3024076 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 Orb3024076 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb3024076, based on the data on this page

What is Orb3024076?

Polyoxin J is a dipeptide.

What is the CAS number of Orb3024076?

The CAS registry number of Orb3024076 is 22976-89-2.

What is the molecular formula and weight of Orb3024076?

The molecular formula of Orb3024076 is C17H25N5O12 and its molar mass is 491.41 g/mol.

Is Orb3024076 hazardous?

No GHS hazard classification for Orb3024076 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 Orb3024076?

Orb3024076 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 Orb3024076?

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What is the price of Orb3024076?

Suppliers quote Orb3024076 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 Orb3024076

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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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