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Screening compounds

dITP

Also known as 2'-Deoxyinosine triphosphate, 2'-Deoxyinosine-5'-triphosphate, 2'-Ditp

CAS 16595-02-1Formula C10H15N4O13P3Molar mass 492.17 g/mol
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dITP chemical structure, C10H15N4O13P3, CAS 16595-02-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
16595-02-1
Formula
C10H15N4O13P3
Molar mass
492.17 g/mol
HS code
293499
Category
Screening compounds

What is dITP?

Plain description, key identifiers and synonyms

DITP is a deoxyinosine phosphate compound having a triphosphate group at the 5'-position. It has a role as a mouse metabolite and an Escherichia coli metabolite. It is a deoxyinosine phosphate and a purine 2'-deoxyribonucleoside 5'-triphosphate. It is a conjugate acid of a dITP(4-).

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
CAS number
16595-02-1 CAS number cross-checked
Molecular formula
C10H15N4O13P3
InChIKey
UFJPAQSLHAGEBL-RRKCRQDMSA-N
InChI
InChI=1S/C10H15N4O13P3/c15-5-1-7(14-4-13-8-9(14)11-3-12-10(8)16)25-6(5)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,15H,1-2H2,(H,20,21)(H,22,23)(H,11,12,16)(H2,17,18,19)/t5-,6+,7+/m0/s1
Canonical SMILES
O=c1[nH]cnc2c1ncn2C1CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1
Isomeric SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CNC3=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

Synonyms

  • 2'-Deoxyinosine triphosphate
  • 2'-Deoxyinosine-5'-triphosphate
  • 2'-Ditp
  • 2'-Deoxyinosine 5'-triphosphate
  • ((hydroxy(((hydroxy((((2R,3S,5R)-3-hydroxy-5-(6-oxo-6,9-dihydro-3H-purin-9-yl)oxolan-2-yl)methoxy))phosphoryl)oxy))phosphoryl)oxy)phosphonic acid
  • (hydroxy-(((2R,3S,5R)-3-hydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl)methoxy)phosphoryl) phosphono hydrogen phosphate
  • [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
  • {[hydroxy({[hydroxy({[(2R,3S,5R)-3-hydroxy-5-(6-oxo-6,9-dihydro-3H-purin-9-yl)oxolan-2-yl]methoxy})phosphoryl]oxy})phosphoryl]oxy}phosphonic acid
  • deoxyinosine triphosphate
  • deoxyinosine 5'-triphosphate
  • [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
  • (((2R,3S,5R)-3-Hydroxy-5-(6-hydroxy-9H-purin-9-yl)tetrahydrofuran-2-yl)methyl)triphosphoric acid
  • 2'-deoxyinosine 5'-(tetrahydrogen triphosphate)
  • {[hydroxy({[hydroxy({[(2R,3S,5R)-3-hydroxy-5-(6-hydroxy-9H-purin-9-yl)oxolan-2-yl]methoxy})phosphoryl]oxy})phosphoryl]oxy}phosphonic acid
  • [hydroxy-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-p
  • 2'-deoxy-Inosine 5'-(tetrahydrogen triphosphate)
  • Inosine 5'-(tetrahydrogen triphosphate), 2'-deoxy-
  • (((2R,3S,5R)-3-Hydroxy-5-(6-hydroxy-9H-purin-9-yl)tetrahydrofuran-2-yl)methyl)triphosphoricacid
  • ((2R,3S,5R)-3-Hydroxy-5-(6-oxo-3,6-dihydro-9H-purin-9-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
492.17 g/molcalc.
Exact mass
491.9848 Dacalc.
LogP (octanol/water)
-0.89calc.
Topological polar surface area
252.9 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
11calc.
Rotatable bonds
8calc.
Heavy atoms
30calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.5calc.
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, O=c1[nH]cnc2c1ncn2C1CCCO1

O=c1[nH]cnc2c1ncn2C1CCCO1

3 rings, 15 atoms, the 9-(Oxolan-2-yl)-3H-purin-6-one ring system.

973 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.

dITP suppliers

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Where suppliers are based

1 supplier in 1 country

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dITP 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

  • Escherichia coli metabolite
  • animal metabolite
  • bacterial metabolite
  • eukaryotic metabolite
  • mammalian metabolite
  • metabolite
  • mouse metabolite
  • prokaryotic 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 dITP 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 dITP is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is dITP?

DITP is a deoxyinosine phosphate compound having a triphosphate group at the 5'-position. It has a role as a mouse metabolite and an Escherichia coli metabolite. It is a deoxyinosine phosphate and a purine 2'-deoxyribonucleoside 5'-triphosphate. It is a conjugate acid of a dITP(4-).

What is the CAS number of dITP?

The CAS registry number of dITP is 16595-02-1.

What is the molecular formula and weight of dITP?

The molecular formula of dITP is C10H15N4O13P3 and its molar mass is 492.17 g/mol.

What is dITP used for?

Known uses and roles of dITP include building blocks in research and laboratory, screening compounds in research and laboratory, escherichia coli metabolite, animal metabolite, bacterial metabolite and 5 more.

Is dITP hazardous?

No GHS hazard classification for dITP 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 dITP?

dITP 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 dITP?

CompoundList lists 1 supplier of dITP 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 dITP?

Suppliers quote dITP 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 dITP

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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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