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Heterocyclic building blocks

Dioxolane-THYMINE

Also known as Dioxolane T, DOT, Dioxolane thymidine

CAS 127658-07-5Formula C9H12N2O5Molar mass 228.20 g/mol
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Dioxolane-THYMINE chemical structure, C9H12N2O5, CAS 127658-07-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
127658-07-5
Formula
C9H12N2O5
Molar mass
228.20 g/mol
HS code
293499
Category
Heterocyclic building blocks

What is Dioxolane-THYMINE?

Plain description, key identifiers and synonyms

Dioxolane-THYMINE is a chemical substance with the molecular formula C9H12N2O5 and a molar mass of 228.20 g/mol. Its CAS registry number is 127658-07-5. The IUPAC name is 1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-5-methylpyrimidine-2,4-dione.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-5-methylpyrimidine-2,4-dione
CAS number
127658-07-5 CAS number cross-checkedOther or deprecated CAS: 136982-89-3
Molecular formula
C9H12N2O5
UNII
WT6GZM4YA8
InChIKey
BCAWWPAPHSAUQZ-RNFRBKRXSA-N
InChI
InChI=1S/C9H12N2O5/c1-5-2-11(9(14)10-8(5)13)6-4-15-7(3-12)16-6/h2,6-7,12H,3-4H2,1H3,(H,10,13,14)/t6-,7-/m1/s1
Canonical SMILES
Cc1cn(C2COC(CO)O2)c(=O)[nH]c1=O
Isomeric SMILES
CC1=CN(C(=O)NC1=O)[C@H]2CO[C@H](O2)CO

Synonyms

  • Dioxolane T
  • DOT
  • Dioxolane thymidine
  • 2,4(1H,3H)-Pyrimidinedione, 1-((2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl)-5-methyl-
  • (+-)-Dioxolane-T
  • (-)-D-beta-Dioxolane T
  • (-)-D-beta-Dioxolane-thymine
  • 1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-5-methyl-pyrimidine-2,4-dione
  • 2,4(1H,3H)-Pyrimidinedione, 1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-5-methyl-
  • (+-)-DOT
  • (+/-)-Dioxolane-T
  • (-)-1-[(2R,4R)-2-Hydroxymethyl)-1,3-dioxan-4-yl]thymine
  • Dioxolane thymine nucleoside
  • (+-)-1-((2beta,4beta)-2-(Hydroxymethyl)-4-dioxolanyl) thymine
  • (-)-1-((2R,4R)-2-(Hydroxymethyl)-1,3-dioxan-4-yl)thymine
  • (+/-)-DOT
  • (-)-1-[(2r,4r)-2-(hydroxymethyl)-4-dioxolanyl]thymine
  • (+/-)-1-[(2beta,4beta)-2-(Hydroxymethyl)-4-dioxolanyl] thymine
  • 1-((2R,4R)-2-(Hydroxymethyl)-1,3-dioxolan-4-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
  • 4-Hydroxy-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-5-methylpyrimidin-2(1H)-one
  • 4-Hydroxy-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]-5-methylpyrimidin-2(1H)-one
  • 2,4(1H,3H)-pyrimidinedione, 1-(2-(hydroxymethyl)-1,3-dioxolan-4-yl)-5-methyl-, (2r-cis)-

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
228.20 g/molcalc.
Exact mass
228.0746 Dacalc.
LogP (octanol/water)
-1.29calc.
Topological polar surface area
93.55 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
2calc.
Heavy atoms
16calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.56calc.
Formal charge
0calc.
Stereocentres
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=c1ccn(C2COCO2)c(=O)[nH]1

O=c1ccn(C2COCO2)c(=O)[nH]1

2 rings, 13 atoms.

8 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.

Dioxolane-THYMINE suppliers

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Dioxolane-THYMINE price

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

Frequently asked questions

Quick answers about Dioxolane-THYMINE, based on the data on this page

What is Dioxolane-THYMINE?

Dioxolane-THYMINE is a chemical substance with the molecular formula C9H12N2O5 and a molar mass of 228.20 g/mol. Its CAS registry number is 127658-07-5. The IUPAC name is 1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-5-methylpyrimidine-2,4-dione.

What is the CAS number of Dioxolane-THYMINE?

The CAS registry number of Dioxolane-THYMINE is 127658-07-5. Other or deprecated CAS numbers: 136982-89-3.

What is the molecular formula and weight of Dioxolane-THYMINE?

The molecular formula of Dioxolane-THYMINE is C9H12N2O5 and its molar mass is 228.20 g/mol.

What is Dioxolane-THYMINE used for?

Known uses and roles of Dioxolane-THYMINE include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Dioxolane-THYMINE hazardous?

No GHS hazard classification for Dioxolane-THYMINE 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 Dioxolane-THYMINE?

Dioxolane-THYMINE 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 Dioxolane-THYMINE?

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What is the price of Dioxolane-THYMINE?

Suppliers quote Dioxolane-THYMINE 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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