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Amines and amides

Deoxyvalidamine

Also known as 1,3-Cyclohexanediol, 4-amino-6-(hydroxymethyl)-, (1S-(1alpha,3alpha,4alpha,6beta))-, (1S,3R,4S,6R)-4-amino-6-(hydroxymethyl)cyclohexane-1,3-diol, 4-amino-6-(hydroxymethyl)cyclohexane-1,3-diol

CAS 100157-27-5Formula C7H15NO3Molar mass 161.20 g/mol
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Deoxyvalidamine chemical structure, C7H15NO3, CAS 100157-27-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
100157-27-5
Formula
C7H15NO3
Molar mass
161.20 g/mol
HS code
292219
Category
Amines and amides

What is Deoxyvalidamine?

Plain description, key identifiers and synonyms

Deoxyvalidamine is a member of cyclohexanols.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,3R,4S,6R)-4-amino-6-(hydroxymethyl)cyclohexane-1,3-diol
CAS number
100157-27-5 CAS number cross-checked
Molecular formula
C7H15NO3
InChIKey
FFRMLFVGYPMNPT-JRTVQGFMSA-N
InChI
InChI=1S/C7H15NO3/c8-5-1-4(3-9)6(10)2-7(5)11/h4-7,9-11H,1-3,8H2/t4-,5+,6+,7-/m1/s1
Canonical SMILES
NC1CC(CO)C(O)CC1O
Isomeric SMILES
C1[C@@H]([C@H](C[C@H]([C@H]1N)O)O)CO

Synonyms

  • 1,3-Cyclohexanediol, 4-amino-6-(hydroxymethyl)-, (1S-(1alpha,3alpha,4alpha,6beta))-
  • (1S,3R,4S,6R)-4-amino-6-(hydroxymethyl)cyclohexane-1,3-diol
  • 4-amino-6-(hydroxymethyl)cyclohexane-1,3-diol

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
161.20 g/molcalc.
Exact mass
161.1052 Dacalc.
LogP (octanol/water)
-1.56calc.
Topological polar surface area
86.71 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
1calc.
Heavy atoms
11calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
Formal charge
0calc.
Stereocentres
4calc.
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 Cyclohexane ring system.

24,737 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.

Deoxyvalidamine suppliers

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

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Deoxyvalidamine 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.

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Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Glycoside Hydrolase Inhibitors

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

Frequently asked questions

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

What is Deoxyvalidamine?

Deoxyvalidamine is a member of cyclohexanols.

What is the CAS number of Deoxyvalidamine?

The CAS registry number of Deoxyvalidamine is 100157-27-5.

What is the molecular formula and weight of Deoxyvalidamine?

The molecular formula of Deoxyvalidamine is C7H15NO3 and its molar mass is 161.20 g/mol.

What is Deoxyvalidamine used for?

Known uses and roles of Deoxyvalidamine include building blocks in research and laboratory, screening compounds in research and laboratory and glycoside hydrolase inhibitors.

Is Deoxyvalidamine hazardous?

No GHS hazard classification for Deoxyvalidamine 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 Deoxyvalidamine?

Deoxyvalidamine 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 Deoxyvalidamine?

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

What is the price of Deoxyvalidamine?

Suppliers quote Deoxyvalidamine 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 Deoxyvalidamine

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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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