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Screening compounds

Mrs2698

Also known as 2'-amino-2-thio-UTP, [(2R,3S,4R,5R)-4-amino-3-hydroxy-5-(4-oxo-2-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate, ((2R,3S,4R,5R)-4-amino-3-hydroxy-5-(4-oxo-2-sulfanylidenepyrimidin-1-yl)oxolan-2-yl)methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate

CAS 934014-05-8Formula C9H16N3O13P3SMolar mass 499.22 g/mol
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Mrs2698 chemical structure, C9H16N3O13P3S, CAS 934014-05-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
934014-05-8
Formula
C9H16N3O13P3S
Molar mass
499.22 g/mol
HS code
293499
Category
Screening compounds

What is Mrs2698?

Plain description, key identifiers and synonyms

Mrs2698 is a chemical substance with the molecular formula C9H16N3O13P3S and a molar mass of 499.22 g/mol. Its CAS registry number is 934014-05-8. The IUPAC name is [[(2R,3S,4R,5R)-4-amino-3-hydroxy-5-(4-oxo-2-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[[(2R,3S,4R,5R)-4-amino-3-hydroxy-5-(4-oxo-2-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CAS number
934014-05-8
Molecular formula
C9H16N3O13P3S
InChIKey
UWTUUIWWVPWHAA-XVFCMESISA-N
InChI
InChI=1S/C9H16N3O13P3S/c10-6-7(14)4(23-8(6)12-2-1-5(13)11-9(12)29)3-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,4,6-8,14H,3,10H2,(H,18,19)(H,20,21)(H,11,13,29)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1
Canonical SMILES
NC1C(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC1n1ccc(=O)[nH]c1=S
Isomeric SMILES
C1=CN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N

Synonyms

  • 2'-amino-2-thio-UTP
  • [(2R,3S,4R,5R)-4-amino-3-hydroxy-5-(4-oxo-2-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • ((2R,3S,4R,5R)-4-amino-3-hydroxy-5-(4-oxo-2-sulfanylidenepyrimidin-1-yl)oxolan-2-yl)methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [[(2R,3S,4R,5R)-4-amino-3-hydroxy-5-(4-oxo-2-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
  • 2''-amino-2''-deoxy-2-thiouridine 5''-triphosphate
  • ((2R,3S,4R,5R)-4-amino-3-hydroxy-5-(4-oxo-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate

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
499.22 g/molcalc.
Exact mass
498.9617 Dacalc.
LogP (octanol/water)
-1.17calc.
Topological polar surface area
253.1 Ųcalc.
Hydrogen bond donors
7calc.
Hydrogen bond acceptors
11calc.
Rotatable bonds
8calc.
Heavy atoms
29calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.56calc.
Formal charge
0calc.
Stereocentres
6calc.
Lipinski rule of five
Fails (2 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(C2CCCO2)c(=S)[nH]1

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

2 rings, 13 atoms.

69 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.

Mrs2698 suppliers

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Mrs2698 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 Mrs2698 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 Mrs2698 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Mrs2698, based on the data on this page

What is Mrs2698?

Mrs2698 is a chemical substance with the molecular formula C9H16N3O13P3S and a molar mass of 499.22 g/mol. Its CAS registry number is 934014-05-8. The IUPAC name is [[(2R,3S,4R,5R)-4-amino-3-hydroxy-5-(4-oxo-2-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.

What is the CAS number of Mrs2698?

The CAS registry number of Mrs2698 is 934014-05-8.

What is the molecular formula and weight of Mrs2698?

The molecular formula of Mrs2698 is C9H16N3O13P3S and its molar mass is 499.22 g/mol.

What is Mrs2698 used for?

Known uses and roles of Mrs2698 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Mrs2698 hazardous?

No GHS hazard classification for Mrs2698 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 Mrs2698?

Mrs2698 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 Mrs2698?

Post a free request on CompoundList and suppliers of Mrs2698 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Mrs2698?

Suppliers quote Mrs2698 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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