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Nucleosides and nucleotides

Orb3237890

CAS 101609-06-7Formula C24H38N5O14PMolar mass 651.56 g/mol
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Orb3237890 chemical structure, C24H38N5O14P, CAS 101609-06-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
101609-06-7
Formula
C24H38N5O14P
Molar mass
651.56 g/mol
HS code
293499
Category
Nucleosides and nucleotides

What is Orb3237890?

Plain description, key identifiers and synonyms

Orb3237890 is a chemical substance with the molecular formula C24H38N5O14P and a molar mass of 651.56 g/mol. Its CAS registry number is 101609-06-7. The IUPAC name is N,N-diethylethanamine, [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N,N-diethylethanamine, [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
CAS number
101609-06-7
Molecular formula
C24H38N5O14P
InChIKey
OUYKEOQJNOXRKK-ZNFCZCJPSA-N
InChI
InChI=1S/C18H23N4O14P.C6H15N/c23-5-7-14(13(28)16(34-7)22-4-2-10(25)20-18(22)30)36-37(31,32)33-6-8-11(26)12(27)15(35-8)21-3-1-9(24)19-17(21)29;1-4-7(5-2)6-3/h1-4,7-8,11-16,23,26-28H,5-6H2,(H,31,32)(H,19,24,29)(H,20,25,30);4-6H2,1-3H3/t7-,8-,11-,12-,13-,14-,15-,16-;/m1./s1
Canonical SMILES
CCN(CC)CC.O=c1ccn(C2OC(COP(=O)(O)OC3C(CO)OC(n4ccc(=O)[nH]c4=O)C3O)C(O)C2O)c(=O)[nH]1
Isomeric SMILES
CCN(CC)CC.C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=CC(=O)NC4=O)CO)O)O

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
651.56 g/molcalc.
Exact mass
651.2153 Dacalc.
LogP (octanol/water)
-3.19calc.
Topological polar surface area
268.1 Ųcalc.
Hydrogen bond donors
7calc.
Hydrogen bond acceptors
14calc.
Rotatable bonds
11calc.
Heavy atoms
44calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.67calc.
Formal charge
0calc.
Stereocentres
9calc.
Components
2calc.
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=c1ccn(C2CC(O[PH](=O)OCC3CCC(n4ccc(=O)[nH]c4=O)O3)CO2)c(=O)[nH]1

O=c1ccn(C2CC(O[PH](=O)OCC3CCC(n4ccc(=O)[nH]c4=O)O3)CO2)c(=O)[nH]1

4 rings, 31 atoms.

18 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.

Orb3237890 suppliers

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Orb3237890 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 Orb3237890 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 Orb3237890 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb3237890, based on the data on this page

What is Orb3237890?

Orb3237890 is a chemical substance with the molecular formula C24H38N5O14P and a molar mass of 651.56 g/mol. Its CAS registry number is 101609-06-7.

What is the CAS number of Orb3237890?

The CAS registry number of Orb3237890 is 101609-06-7.

What is the molecular formula and weight of Orb3237890?

The molecular formula of Orb3237890 is C24H38N5O14P and its molar mass is 651.56 g/mol.

Is Orb3237890 hazardous?

No GHS hazard classification for Orb3237890 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 Orb3237890?

Orb3237890 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 Orb3237890?

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What is the price of Orb3237890?

Suppliers quote Orb3237890 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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