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Nucleosides and nucleotides

3-Hydroxyxanthine hydrate

Also known as Xanthine, 3-hydroxy-, hydrate, 1H-Purine-2,6-dione, 3,7-dihydro-3-hydroxy-, monohydrate, 3,6-Dihydroxy-3,9-dihydro-2H-purin-2-one--water (1/1)

CAS 64038-49-9Formula C5H6N4O4Molar mass 186.13 g/mol
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3-Hydroxyxanthine hydrate chemical structure, C5H6N4O4, CAS 64038-49-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
64038-49-9
Formula
C5H6N4O4
Molar mass
186.13 g/mol
HS code
293359
Category
Nucleosides and nucleotides

What is 3-Hydroxyxanthine hydrate?

Plain description, key identifiers and synonyms

3-Hydroxyxanthine hydrate is a chemical substance with the molecular formula C5H6N4O4 and a molar mass of 186.13 g/mol. Its CAS registry number is 64038-49-9. The IUPAC name is 3-hydroxy-7H-purine-2,6-dione, hydrate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-hydroxy-7H-purine-2,6-dione, hydrate
CAS number
64038-49-9 CAS number cross-checked
Molecular formula
C5H6N4O4
InChIKey
BGQLASDHWPLTDZ-UHFFFAOYSA-N
InChI
InChI=1S/C5H4N4O3.H2O/c10-4-2-3(7-1-6-2)9(12)5(11)8-4;/h1,12H,(H,6,7)(H,8,10,11);1H2
SMILES (canonical and isomeric)
C1=NC2=C(N1)C(=O)NC(=O)N2O.O

Synonyms

  • Xanthine, 3-hydroxy-, hydrate
  • 1H-Purine-2,6-dione, 3,7-dihydro-3-hydroxy-, monohydrate
  • 3,6-Dihydroxy-3,9-dihydro-2H-purin-2-one--water (1/1)

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
186.13 g/molcalc.
Exact mass
186.0389 Dacalc.
LogP (octanol/water)
-2.17calc.
Topological polar surface area
135.3 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
0calc.
Heavy atoms
13calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
2calc.
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, O=c1[nH]c(=O)c2[nH]cnc2[nH]1

O=c1[nH]c(=O)c2[nH]cnc2[nH]1

2 rings, 11 atoms, the Xanthine ring system.

1,880 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.

3-Hydroxyxanthine hydrate suppliers

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3-Hydroxyxanthine hydrate 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 3-Hydroxyxanthine hydrate is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

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

The HS code shown for 3-Hydroxyxanthine hydrate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 3-Hydroxyxanthine hydrate, based on the data on this page

What is 3-Hydroxyxanthine hydrate?

3-Hydroxyxanthine hydrate is a chemical substance with the molecular formula C5H6N4O4 and a molar mass of 186.13 g/mol. Its CAS registry number is 64038-49-9. The IUPAC name is 3-hydroxy-7H-purine-2,6-dione, hydrate.

What is the CAS number of 3-Hydroxyxanthine hydrate?

The CAS registry number of 3-Hydroxyxanthine hydrate is 64038-49-9.

What is the molecular formula and weight of 3-Hydroxyxanthine hydrate?

The molecular formula of 3-Hydroxyxanthine hydrate is C5H6N4O4 and its molar mass is 186.13 g/mol.

Is 3-Hydroxyxanthine hydrate hazardous?

No GHS hazard classification for 3-Hydroxyxanthine hydrate 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 3-Hydroxyxanthine hydrate?

3-Hydroxyxanthine hydrate is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 3-Hydroxyxanthine hydrate?

Post a free request on CompoundList and suppliers of 3-Hydroxyxanthine hydrate will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 3-Hydroxyxanthine hydrate?

Suppliers quote 3-Hydroxyxanthine hydrate 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 3-Hydroxyxanthine hydrate

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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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