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Screening compounds

Methylene-AzddTTP

Also known as 3'-Azido-3'-deoxyadenosinealpha,beta-methylenetriphosphate, Thymidine, 3'-azido-3'-deoxy-, 5'-(hydrogen ((hydroxy(phosphonooxy)phosphinyl)methyl)phosphonate), Thymidine, 3'-azido-3'-deoxy-, 5'-[hydrogen [[hydroxy(phosphonooxy)phosphinyl]methyl]phosphonate]

CAS 115991-80-5Formula C11H18N5O12P3Molar mass 505.21 g/mol
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Methylene-AzddTTP chemical structure, C11H18N5O12P3, CAS 115991-80-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
115991-80-5
Formula
C11H18N5O12P3
Molar mass
505.21 g/mol
HS code
293499
Category
Screening compounds

What is Methylene-AzddTTP?

Plain description, key identifiers and synonyms

Methylene-AzddTTP is a chemical substance with the molecular formula C11H18N5O12P3 and a molar mass of 505.21 g/mol. Its CAS registry number is 115991-80-5. The IUPAC name is [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[[hydroxy(phosphonooxy)phosphoryl]methyl]phosphinic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[[hydroxy(phosphonooxy)phosphoryl]methyl]phosphinic acid
CAS number
115991-80-5 CAS number cross-checked
Molecular formula
C11H18N5O12P3
InChIKey
LUYVLMHFQAPSER-DJLDLDEBSA-N
InChI
InChI=1S/C11H18N5O12P3/c1-6-3-16(11(18)13-10(6)17)9-2-7(14-15-12)8(27-9)4-26-29(19,20)5-30(21,22)28-31(23,24)25/h3,7-9H,2,4-5H2,1H3,(H,19,20)(H,21,22)(H,13,17,18)(H2,23,24,25)/t7-,8+,9+/m0/s1
Canonical SMILES
Cc1cn(C2CC(N=[N+]=[N-])C(COP(=O)(O)CP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O
Isomeric SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)N=[N+]=[N-]

Synonyms

  • 3'-Azido-3'-deoxyadenosinealpha,beta-methylenetriphosphate
  • Thymidine, 3'-azido-3'-deoxy-, 5'-(hydrogen ((hydroxy(phosphonooxy)phosphinyl)methyl)phosphonate)
  • Thymidine, 3'-azido-3'-deoxy-, 5'-[hydrogen [[hydroxy(phosphonooxy)phosphinyl]methyl]phosphonate]
  • [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-[[hydroxy(phosphonooxy)phosphoryl]methyl]phosphinic acid
  • 3'-Azido-3'-deoxy-5'-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl)thymidine

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
505.21 g/molcalc.
Exact mass
505.0165 Dacalc.
LogP (octanol/water)
0.27calc.
Topological polar surface area
263.4 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
9calc.
Heavy atoms
31calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.64calc.
Formal charge
0calc.
Stereocentres
5calc.
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, O=c1ccn(C2CCCO2)c(=O)[nH]1

O=c1ccn(C2CCCO2)c(=O)[nH]1

2 rings, 13 atoms, the Tetrahydrofuryluracil ring system.

3,051 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.

Methylene-AzddTTP suppliers

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

Frequently asked questions

Quick answers about Methylene-AzddTTP, based on the data on this page

What is Methylene-AzddTTP?

Methylene-AzddTTP is a chemical substance with the molecular formula C11H18N5O12P3 and a molar mass of 505.21 g/mol. Its CAS registry number is 115991-80-5. The IUPAC name is [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[[hydroxy(phosphonooxy)phosphoryl]methyl]phosphinic acid.

What is the CAS number of Methylene-AzddTTP?

The CAS registry number of Methylene-AzddTTP is 115991-80-5.

What is the molecular formula and weight of Methylene-AzddTTP?

The molecular formula of Methylene-AzddTTP is C11H18N5O12P3 and its molar mass is 505.21 g/mol.

What is Methylene-AzddTTP used for?

Known uses and roles of Methylene-AzddTTP include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Methylene-AzddTTP hazardous?

No GHS hazard classification for Methylene-AzddTTP 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 Methylene-AzddTTP?

Methylene-AzddTTP 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 Methylene-AzddTTP?

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

What is the price of Methylene-AzddTTP?

Suppliers quote Methylene-AzddTTP 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 Methylene-AzddTTP

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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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