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Insecticides and acaricides

Validoxylamine A

Also known as (+)-Validoxylamine A, (1S,2S,3R,6S)-4-(hydroxymethyl)-6-[[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino]cyclohex-4-ene-1,2,3-triol, (1s,2s,3r,6s)-4-(Hydroxymethyl)-6-{[(1s,2s,3s,4r,5r)-2,3,4-Trihydroxy-5-(Hydroxymethyl)cyclohexyl]amino}cyclohex-4-Ene-1,2,3-Triol

CAS 38665-10-0Formula C14H25NO8Molar mass 335.35 g/mol
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Validoxylamine A chemical structure, C14H25NO8, CAS 38665-10-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
38665-10-0
Formula
C14H25NO8
Molar mass
335.35 g/mol
HS code
292219
Category
Insecticides and acaricides

What is Validoxylamine A?

Plain description, key identifiers and synonyms

Validoxylamine A is an amino cyclitol that is (1R,2S,3S,4S,6R)-4-amino-6-(hydroxymethyl)cyclohexane-1,2,3-triol in which one of the hydrogens attached to the nitrogen is replaced by a (1R,4R,5R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl group. It has a role as an antibiotic insecticide, an animal metabolite, a bacterial metabolite and an EC 3.2.1.28 (alpha,alpha-trehalase) inhibitor. It is a secondary amino compound and an amino cyclitol. It is functionally related to a validamine. It is a conjugate base of a validoxylamine A(1+).

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,2S,3R,6S)-4-(hydroxymethyl)-6-[[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino]cyclohex-4-ene-1,2,3-triol
CAS number
38665-10-0
Molecular formula
C14H25NO8
InChIKey
YCJYNBLLJHFIIW-MBABXGOBSA-N
InChI
InChI=1S/C14H25NO8/c16-3-5-1-7(11(20)13(22)9(5)18)15-8-2-6(4-17)10(19)14(23)12(8)21/h1,6-23H,2-4H2/t6-,7+,8+,9-,10-,11+,12+,13+,14+/m1/s1
Canonical SMILES
OCC1=CC(NC2CC(CO)C(O)C(O)C2O)C(O)C(O)C1O
Isomeric SMILES
C1[C@@H]([C@H]([C@@H]([C@H]([C@H]1N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)CO

Synonyms

  • (+)-Validoxylamine A
  • (1S,2S,3R,6S)-4-(hydroxymethyl)-6-[[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino]cyclohex-4-ene-1,2,3-triol
  • (1s,2s,3r,6s)-4-(Hydroxymethyl)-6-{[(1s,2s,3s,4r,5r)-2,3,4-Trihydroxy-5-(Hydroxymethyl)cyclohexyl]amino}cyclohex-4-Ene-1,2,3-Triol
  • (1S,2S,3R,6S)-4-(hydroxymethyl)-6-(((1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl)amino)cyclohex-4-ene-1,2,3-triol
  • 1,5,6-Trideoxy-5-(hydroxymethyl)-1-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-D-chiro-inositol, (+)-Validoxylamine A,
  • Validoxylamine
  • D-chiro-Inositol, 1,5,6-trideoxy-5-(hydroxymethyl)-1-((4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl)amino)-, (1S-(1alpha,4alpha,5beta,6alpha))-
  • D-chiro-Inositol, 5-(hydroxymethyl)-1,5,6-trideoxy-1-((4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl)amino)-, (1S-(1-alpha,4-alpha,5-beta,6-alpha))-

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
335.35 g/molcalc.
Exact mass
335.158 Dacalc.
LogP (octanol/water)
-4.58calc.
Topological polar surface area
173.9 Ųcalc.
Hydrogen bond donors
9calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
4calc.
Heavy atoms
23calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.86calc.
Formal charge
0calc.
Stereocentres
9calc.
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, C1=CC(NC2CCCCC2)CCC1

C1=CC(NC2CCCCC2)CCC1

2 rings, 13 atoms, the N-Cyclohexylcyclohex-2-en-1-amine ring system.

5 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.

Validoxylamine A suppliers

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Validoxylamine A price

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Uses and applications

What the substance is used for, by industry and function

Roles

  • animal metabolite
  • antibiotic insecticide
  • antibiotic pesticide
  • antimicrobial agent
  • bacterial metabolite
  • enzyme inhibitor
  • eukaryotic metabolite
  • insecticide
  • metabolite
  • pesticide
  • prokaryotic metabolite

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 Validoxylamine A is traded under.

HS 2922.19Indicative HS code

Amino-alcohols, other than those containing more than one kind of oxygen function, their…

World exports in 2024
$2.2B
−4.7% vs 2023, imports $2.27B
2019 to 2024
Top exporters
  1. China21.7%
  2. Germany17.3%
  3. United States15.6%
Top importers
  1. India * partner reported11.0%
  2. United States9.0%
  3. Germany7.2%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Validoxylamine A, based on the data on this page

What is Validoxylamine A?

Validoxylamine A is an amino cyclitol that is (1R,2S,3S,4S,6R)-4-amino-6-(hydroxymethyl)cyclohexane-1,2,3-triol in which one of the hydrogens attached to the nitrogen is replaced by a (1R,4R,5R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl group.

What is the CAS number of Validoxylamine A?

The CAS registry number of Validoxylamine A is 38665-10-0.

What is the molecular formula and weight of Validoxylamine A?

The molecular formula of Validoxylamine A is C14H25NO8 and its molar mass is 335.35 g/mol.

What is Validoxylamine A used for?

Known uses and roles of Validoxylamine A include insecticides in agriculture and crop protection, animal metabolite, antibiotic insecticide, antibiotic pesticide, antimicrobial agent and 7 more.

Is Validoxylamine A hazardous?

No GHS hazard classification for Validoxylamine A 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 Validoxylamine A?

Validoxylamine A is usually classified under HS code 292219 (Amino-alcohols, other than those containing more than one kind of oxygen function, their…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Validoxylamine A?

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

What is the price of Validoxylamine A?

Suppliers quote Validoxylamine A 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

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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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