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Nucleosides and nucleotides

5'Ap3A

Also known as Ap3A, Adenosine 5'-triphosphate 5'-adenosine, bis[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate

CAS 5959-90-0Formula C20H27N10O16P3Molar mass 756.41 g/mol
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5'Ap3A chemical structure, C20H27N10O16P3, CAS 5959-90-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
5959-90-0
Formula
C20H27N10O16P3
Molar mass
756.41 g/mol
HS code
293499
Category
Nucleosides and nucleotides

What is 5'Ap3A?

Plain description, key identifiers and synonyms

P(1),P(3)-bis(5'-adenosyl) triphosphate is a diadenosyl triphosphate having the two 5'-adenosyl residues attached at the P1- and P3-positions. It has a role as a mouse metabolite. It is a conjugate acid of a P(1),P(3)-bis(5'-adenosyl) triphosphate(3-).

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
bis[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
CAS number
5959-90-0
Molecular formula
C20H27N10O16P3
InChIKey
QCICUPZZLIQAPA-XPWFQUROSA-N
InChI
InChI=1S/C20H27N10O16P3/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(43-19)1-41-47(35,36)45-49(39,40)46-48(37,38)42-2-8-12(32)14(34)20(44-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
Canonical SMILES
Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O
Isomeric SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)N

Synonyms

  • Ap3A
  • Adenosine 5'-triphosphate 5'-adenosine
  • bis[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
  • Adenosine 5'-(tetrahydrogen triphosphate), P''-5'-ester with adenosine
  • bis(((2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl)methoxy-hydroxyphosphoryl) hydrogen phosphate
  • A(5')p3(5')A
  • adenosine(5')triphospho(5')adenosine
  • P1,P3-Bis(5'-adenosyl) triphosphate
  • P1,P3-Diadenosine-5 inverted exclamation marka triphosphate
  • Adenosine (5')triphospho(5')adenosine
  • Adenosine-(5')-triphospho-(5')-adenosine
  • P(1),P(3)-bis(5'-adenosyl) trihydrogen triphosphate
  • P(1),P(3)-bis(5'-adenosyl) triphosphate
  • A(5'')p3(5'')A
  • adenosine(5'')triphospho(5'')adenosine
  • P(1),P(3)-bis(5''-adenosyl) triphosphate
  • P(1),P(3)-bis(5''-adenosyl) trihydrogen triphosphate
  • bis[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate

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
756.41 g/molcalc.
Exact mass
756.0819 Dacalc.
LogP (octanol/water)
-2.56calc.
Topological polar surface area
387.4 Ųcalc.
Hydrogen bond donors
9calc.
Hydrogen bond acceptors
21calc.
Rotatable bonds
12calc.
Heavy atoms
49calc.
Rings
6calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.5calc.
Formal charge
0calc.
Stereocentres
10calc.
Lipinski rule of five
Fails (3 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=[PH](OCC1CCC(n2cnc3cncnc32)O1)O[PH](=O)O[PH](=O)OCC1CCC(n2cnc3cncnc32)O1

O=[PH](OCC1CCC(n2cnc3cncnc32)O1)O[PH](=O)O[PH](=O)OCC1CCC(n2cnc3cncnc32)O1

6 rings, 40 atoms.

3 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.

5'Ap3A suppliers

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Where suppliers are based

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5'Ap3A 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

Roles

  • animal metabolite
  • eukaryotic metabolite
  • mammalian metabolite
  • metabolite
  • mouse metabolite

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 5'Ap3A 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 5'Ap3A is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 5'Ap3A, based on the data on this page

What is 5'Ap3A?

P(1),P(3)-bis(5'-adenosyl) triphosphate is a diadenosyl triphosphate having the two 5'-adenosyl residues attached at the P1- and P3-positions. It has a role as a mouse metabolite. It is a conjugate acid of a P(1),P(3)-bis(5'-adenosyl) triphosphate(3-).

What is the CAS number of 5'Ap3A?

The CAS registry number of 5'Ap3A is 5959-90-0.

What is the molecular formula and weight of 5'Ap3A?

The molecular formula of 5'Ap3A is C20H27N10O16P3 and its molar mass is 756.41 g/mol.

What is 5'Ap3A used for?

Known uses and roles of 5'Ap3A include animal metabolite, eukaryotic metabolite, mammalian metabolite, metabolite and mouse metabolite.

Is 5'Ap3A hazardous?

No GHS hazard classification for 5'Ap3A 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 5'Ap3A?

5'Ap3A 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 5'Ap3A?

CompoundList lists 1 supplier of 5'Ap3A in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of 5'Ap3A?

Suppliers quote 5'Ap3A 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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