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Aromatic building blocks

Chr-79888

Also known as (2s)-({(2r)-2-[(1s)-1-Hydroxy-2-(Hydroxyamino)-2-Oxoethyl]-4-Methylpentanoyl}amino)(Phenyl)ethanoic Acid, (alphaS)-alpha-[[(2R)-2-[(1S)-1-Hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methyl-1-oxopentyl]amino]benzeneacetic acid, Benzeneacetic acid, alpha-[[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methyl-1-oxopentyl]amino]-, (alphaS)-

CAS 1069128-53-5Formula C16H22N2O6Molar mass 338.36 g/mol
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Chr-79888 chemical structure, C16H22N2O6, CAS 1069128-53-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1069128-53-5
Formula
C16H22N2O6
Molar mass
338.36 g/mol
HS code
292800
Category
Aromatic building blocks

What is Chr-79888?

Plain description, key identifiers and synonyms

Chr-79888 is a chemical substance with the molecular formula C16H22N2O6 and a molar mass of 338.36 g/mol. Its CAS registry number is 1069128-53-5. The IUPAC name is (2S)-2-[[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]amino]-2-phenylacetic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S)-2-[[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]amino]-2-phenylacetic acid
CAS number
1069128-53-5
Molecular formula
C16H22N2O6
UNII
HF6P5EF2F6
InChIKey
FIVIXKOBUJPPEI-AGIUHOORSA-N
InChI
InChI=1S/C16H22N2O6/c1-9(2)8-11(13(19)15(21)18-24)14(20)17-12(16(22)23)10-6-4-3-5-7-10/h3-7,9,11-13,19,24H,8H2,1-2H3,(H,17,20)(H,18,21)(H,22,23)/t11-,12+,13+/m1/s1
Canonical SMILES
CC(C)CC(C(=O)NC(C(=O)O)c1ccccc1)C(O)C(=O)NO
Isomeric SMILES
CC(C)C[C@H]([C@@H](C(=O)NO)O)C(=O)N[C@@H](C1=CC=CC=C1)C(=O)O

Synonyms

  • (2s)-({(2r)-2-[(1s)-1-Hydroxy-2-(Hydroxyamino)-2-Oxoethyl]-4-Methylpentanoyl}amino)(Phenyl)ethanoic Acid
  • (alphaS)-alpha-[[(2R)-2-[(1S)-1-Hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methyl-1-oxopentyl]amino]benzeneacetic acid
  • Benzeneacetic acid, alpha-[[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methyl-1-oxopentyl]amino]-, (alphaS)-

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
338.36 g/molcalc.
Exact mass
338.1478 Dacalc.
LogP (octanol/water)
0.46calc.
Topological polar surface area
136 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
8calc.
Heavy atoms
24calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.44calc.
Formal charge
0calc.
Stereocentres
3calc.
Lipinski rule of five
Passes (0 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, c1ccccc1

c1ccccc1

1 ring, 6 atoms, the Benzene ring system.

485,677 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.

Chr-79888 suppliers

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Chr-79888 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 Chr-79888 is traded under.

HS 2928.00Indicative HS code

Organic derivatives of hydrazine or of hydroxylamine

World exports in 2024
$1.38B
−9.0% vs 2023, imports $1.52B
2019 to 2024
Top exporters
  1. Switzerland * partner reported44.0%
  2. China18.4%
  3. Italy9.4%
Top importers
  1. Brazil21.8%
  2. United States12.8%
  3. Italy10.8%

* Partner reported figures, a lower bound.

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

The HS code shown for Chr-79888 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Chr-79888, based on the data on this page

What is Chr-79888?

Chr-79888 is a chemical substance with the molecular formula C16H22N2O6 and a molar mass of 338.36 g/mol. Its CAS registry number is 1069128-53-5. The IUPAC name is (2S)-2-[[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl]amino]-2-phenylacetic acid.

What is the CAS number of Chr-79888?

The CAS registry number of Chr-79888 is 1069128-53-5.

What is the molecular formula and weight of Chr-79888?

The molecular formula of Chr-79888 is C16H22N2O6 and its molar mass is 338.36 g/mol.

What is Chr-79888 used for?

Known uses and roles of Chr-79888 include building blocks in research and laboratory.

Is Chr-79888 hazardous?

No GHS hazard classification for Chr-79888 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 Chr-79888?

Chr-79888 is usually classified under HS code 292800 (Organic derivatives of hydrazine or of hydroxylamine). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Chr-79888?

Post a free request on CompoundList and suppliers of Chr-79888 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Chr-79888?

Suppliers quote Chr-79888 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 Chr-79888

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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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