CompoundList
Sign in
Nucleosides and nucleotides

pppApG

CAS 68892-47-7Formula C20H28N10O20P4Molar mass 852.39 g/mol
Get quotes Safety data
pppApG chemical structure, C20H28N10O20P4, CAS 68892-47-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
68892-47-7
Formula
C20H28N10O20P4
Molar mass
852.39 g/mol
HS code
293499
Category
Nucleosides and nucleotides

What is pppApG?

Plain description, key identifiers and synonyms

pppApG is a chemical substance with the molecular formula C20H28N10O20P4 and a molar mass of 852.39 g/mol. Its CAS registry number is 68892-47-7. The IUPAC name is [[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CAS number
68892-47-7
Molecular formula
C20H28N10O20P4
InChIKey
DTYOICBSSHTIFB-INFSMZHSSA-N
InChI
InChI=1S/C20H28N10O20P4/c21-14-8-15(24-3-23-14)29(4-25-8)19-12(33)13(7(47-19)2-45-53(40,41)50-54(42,43)49-51(35,36)37)48-52(38,39)44-1-6-10(31)11(32)18(46-6)30-5-26-9-16(30)27-20(22)28-17(9)34/h3-7,10-13,18-19,31-33H,1-2H2,(H,38,39)(H,40,41)(H,42,43)(H2,21,23,24)(H2,35,36,37)(H3,22,27,28,34)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1
Canonical SMILES
Nc1nc2c(ncn2C2OC(COP(=O)(O)OC3C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC(n4cnc5c(N)ncnc54)C3O)C(O)C2O)c(=O)[nH]1
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)O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5N=C(NC6=O)N)O)O)O)N

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
852.39 g/molcalc.
Exact mass
852.0432 Dacalc.
LogP (octanol/water)
-3.15calc.
Topological polar surface area
453.9 Ųcalc.
Hydrogen bond donors
11calc.
Hydrogen bond acceptors
22calc.
Rotatable bonds
14calc.
Heavy atoms
54calc.
Rings
6calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.5calc.
Formal charge
0calc.
Stereocentres
11calc.
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(CO[PH](=O)OC2COC(n3cnc4cncnc43)C2)O1

O=c1[nH]cnc2c1ncn2C1CCC(CO[PH](=O)OC2COC(n3cnc4cncnc43)C2)O1

6 rings, 34 atoms.

14 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.

pppApG suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

No supplier listings yet

Post one free request and suppliers who make or trade pppApG can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

pppApG price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

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

Frequently asked questions

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

What is pppApG?

pppApG is a chemical substance with the molecular formula C20H28N10O20P4 and a molar mass of 852.39 g/mol. Its CAS registry number is 68892-47-7.

What is the CAS number of pppApG?

The CAS registry number of pppApG is 68892-47-7.

What is the molecular formula and weight of pppApG?

The molecular formula of pppApG is C20H28N10O20P4 and its molar mass is 852.39 g/mol.

Is pppApG hazardous?

No GHS hazard classification for pppApG 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 pppApG?

pppApG 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 pppApG?

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

What is the price of pppApG?

Suppliers quote pppApG 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 pppApG

Get quotes for pppApG

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell pppApG
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of pppApG with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/pppapg-68892-47-7" title="pppApG structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Nucleosides and nucleotides or HS code 293499

Price on request
Free quotes, contact stays private
Get quotes