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Nucleosides and nucleotides

Linear-benzoadenosine diphosphate

Also known as Lin-benzo-ADP, [(2R,3S,4R,5R)-5-(8-aminoimidazo[4,5-g]quinazolin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate, ((2R,3S,4R,5R)-5-(8-Amino-3H-imidazo[4,5-g]quinazolin-3-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphate

CAS 61925-59-5Formula C14H17N5O10P2Molar mass 477.26 g/mol
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Linear-benzoadenosine diphosphate chemical structure, C14H17N5O10P2, CAS 61925-59-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
61925-59-5
Formula
C14H17N5O10P2
Molar mass
477.26 g/mol
HS code
293499
Category
Nucleosides and nucleotides

What is Linear-benzoadenosine diphosphate?

Plain description, key identifiers and synonyms

Linear-benzoadenosine diphosphate is a chemical substance with the molecular formula C14H17N5O10P2 and a molar mass of 477.26 g/mol. Its CAS registry number is 61925-59-5. The IUPAC name is [(2R,3S,4R,5R)-5-(8-aminoimidazo[4,5-g]quinazolin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(2R,3S,4R,5R)-5-(8-aminoimidazo[4,5-g]quinazolin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
CAS number
61925-59-5 CAS number cross-checked
Molecular formula
C14H17N5O10P2
InChIKey
QMGBJUQQYZORLL-HKUMRIAESA-N
InChI
InChI=1S/C14H17N5O10P2/c15-13-6-1-8-9(2-7(6)16-4-17-13)19(5-18-8)14-12(21)11(20)10(28-14)3-27-31(25,26)29-30(22,23)24/h1-2,4-5,10-12,14,20-21H,3H2,(H,25,26)(H2,15,16,17)(H2,22,23,24)/t10-,11-,12-,14-/m1/s1
Canonical SMILES
Nc1ncnc2cc3c(cc12)ncn3C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O
Isomeric SMILES
C1=C2C(=CC3=C1N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)OP(=O)(O)O)O)O)N=CN=C2N

Synonyms

  • Lin-benzo-ADP
  • [(2R,3S,4R,5R)-5-(8-aminoimidazo[4,5-g]quinazolin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
  • ((2R,3S,4R,5R)-5-(8-Amino-3H-imidazo[4,5-g]quinazolin-3-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphate
  • ((2R,3S,4R,5R)-5-(8-Amino-3H-imidazo[4,5-g]quinazolin-3-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyltrihydrogendiphosphate
  • 3-{5-O-[Hydroxy(phosphonooxy)phosphoryl]-beta-D-ribofuranosyl}-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-imine
  • 3-{5-O-[Hydroxy(phosphonooxy)phosphoryl]pentofuranosyl}-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-imine
  • 3H-Imidazo(4,5-g)quinazolin-8-amine, 3-(5-O-(hydroxy(phosphonooxy)phosphinyl)-beta-D-ribofuranosyl)-

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
477.26 g/molcalc.
Exact mass
477.0451 Dacalc.
LogP (octanol/water)
-0.59calc.
Topological polar surface area
232.6 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
11calc.
Rotatable bonds
6calc.
Heavy atoms
31calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.36calc.
Formal charge
0calc.
Stereocentres
5calc.
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, c1ncc2cc3ncn(C4CCCO4)c3cc2n1

c1ncc2cc3ncn(C4CCCO4)c3cc2n1

4 rings, 18 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.

Linear-benzoadenosine diphosphate suppliers

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Linear-benzoadenosine diphosphate price

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

Frequently asked questions

Quick answers about Linear-benzoadenosine diphosphate, based on the data on this page

What is Linear-benzoadenosine diphosphate?

Linear-benzoadenosine diphosphate is a chemical substance with the molecular formula C14H17N5O10P2 and a molar mass of 477.26 g/mol. Its CAS registry number is 61925-59-5. The IUPAC name is [(2R,3S,4R,5R)-5-(8-aminoimidazo[4,5-g]quinazolin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate.

What is the CAS number of Linear-benzoadenosine diphosphate?

The CAS registry number of Linear-benzoadenosine diphosphate is 61925-59-5.

What is the molecular formula and weight of Linear-benzoadenosine diphosphate?

The molecular formula of Linear-benzoadenosine diphosphate is C14H17N5O10P2 and its molar mass is 477.26 g/mol.

Is Linear-benzoadenosine diphosphate hazardous?

No GHS hazard classification for Linear-benzoadenosine diphosphate 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 Linear-benzoadenosine diphosphate?

Linear-benzoadenosine diphosphate 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 Linear-benzoadenosine diphosphate?

CompoundList lists 1 supplier of Linear-benzoadenosine diphosphate 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 Linear-benzoadenosine diphosphate?

Suppliers quote Linear-benzoadenosine diphosphate on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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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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