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Nucleosides and nucleotides

ApApG

Also known as Adenylyl-(3'-5')-adenylyl-(3'-5')-guanosine, Guanosine, adenylyl-(3'-5')-adenylyl-(3'-5')-

CAS 2099-88-9Formula C30H37N15O17P2Molar mass 941.66 g/mol
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ApApG chemical structure, C30H37N15O17P2, CAS 2099-88-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2099-88-9
Formula
C30H37N15O17P2
Molar mass
941.66 g/mol
HS code
293499
Category
Nucleosides and nucleotides

What is ApApG?

Plain description, key identifiers and synonyms

ApApG is a chemical substance with the molecular formula C30H37N15O17P2 and a molar mass of 941.66 g/mol. Its CAS registry number is 2099-88-9. The IUPAC name is [(2R,3R,4R,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-[2-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy]ethyl]-4-hydroxyoxolan-3-yl] dihydrogen phosphate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(2R,3R,4R,5S)-2-(2-amino-6-oxo-1H-purin-9-yl)-5-[2-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy]ethyl]-4-hydroxyoxolan-3-yl] dihydrogen phosphate
CAS number
2099-88-9
Molecular formula
C30H37N15O17P2
InChIKey
JHTGPLDEBYQXJH-OERBZGCCSA-N
InChI
InChI=1S/C30H37N15O17P2/c31-21-11-23(36-3-34-21)43(5-38-11)27-15(47)14(46)8(58-27)1-9(18-16(48)20(62-64(54,55)56)29(60-18)45-7-40-13-25(45)41-30(33)42-26(13)50)57-2-10-19(61-63(51,52)53)17(49)28(59-10)44-6-39-12-22(32)35-4-37-24(12)44/h3-10,14-20,27-29,46-49H,1-2H2,(H2,31,34,36)(H2,32,35,37)(H2,51,52,53)(H2,54,55,56)(H3,33,41,42,50)/t8-,9?,10-,14-,15-,16-,17-,18-,19-,20-,27-,28-,29-/m1/s1
Canonical SMILES
Nc1nc2c(ncn2C2OC(C(CC3OC(n4cnc5c(N)ncnc54)C(O)C3O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3OP(=O)(O)O)C(O)C2OP(=O)(O)O)c(=O)[nH]1
Isomeric SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CC([C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5N=C(NC6=O)N)OP(=O)(O)O)O)OC[C@@H]7[C@H]([C@H]([C@@H](O7)N8C=NC9=C(N=CN=C98)N)O)OP(=O)(O)O)O)O)N

Synonyms

  • Adenylyl-(3'-5')-adenylyl-(3'-5')-guanosine
  • Guanosine, adenylyl-(3'-5')-adenylyl-(3'-5')-

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
941.66 g/molcalc.
Exact mass
941.1967 Dacalc.
LogP (octanol/water)
-4.59calc.
Topological polar surface area
480.2 Ųcalc.
Hydrogen bond donors
12calc.
Hydrogen bond acceptors
24calc.
Rotatable bonds
13calc.
Heavy atoms
64calc.
Rings
9calc.
Aromatic rings
6calc.
Fraction sp3 carbons
0.5calc.
Formal charge
0calc.
Stereocentres
13calc.
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=c1[nH]cnc2c1ncn2C1CCC(C(CC2CCC(n3cnc4cncnc43)O2)OCC2CCC(n3cnc4cncnc43)O2)O1

O=c1[nH]cnc2c1ncn2C1CCC(C(CC2CCC(n3cnc4cncnc43)O2)OCC2CCC(n3cnc4cncnc43)O2)O1

9 rings, 47 atoms.

No other chemical in our database has 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.

ApApG suppliers

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

Frequently asked questions

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

What is ApApG?

ApApG is a chemical substance with the molecular formula C30H37N15O17P2 and a molar mass of 941.66 g/mol. Its CAS registry number is 2099-88-9.

What is the CAS number of ApApG?

The CAS registry number of ApApG is 2099-88-9.

What is the molecular formula and weight of ApApG?

The molecular formula of ApApG is C30H37N15O17P2 and its molar mass is 941.66 g/mol.

Is ApApG hazardous?

No GHS hazard classification for ApApG 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 ApApG?

ApApG 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 ApApG?

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What is the price of ApApG?

Suppliers quote ApApG 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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