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Nucleosides and nucleotides

Orb1704338

Formula C15H22N2Na2O16P2SMolar mass 626.33 g/mol
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Orb1704338 chemical structure, C15H22N2Na2O16P2S
2D chemical structure

Key facts

What buyers check first

All properties
Formula
C15H22N2Na2O16P2S
Molar mass
626.33 g/mol
HS code
293499
Category
Nucleosides and nucleotides

What is Orb1704338?

Plain description, key identifiers and synonyms

Orb1704338 is a chemical substance with the molecular formula C15H22N2Na2O16P2S and a molar mass of 626.33 g/mol. The IUPAC name is disodium, [3,4-dihydroxy-5-(4-oxo-2-sulfidopyrimidin-1-yl)oxolan-2-yl]methyl [hydroxy-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphoryl] phosphate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
disodium, [3,4-dihydroxy-5-(4-oxo-2-sulfidopyrimidin-1-yl)oxolan-2-yl]methyl [hydroxy-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphoryl] phosphate
Molecular formula
C15H22N2Na2O16P2S
InChIKey
TYVFMVSNSGMZPA-UHFFFAOYSA-L
InChI
InChI=1S/C15H24N2O16P2S.2Na/c18-3-5-8(20)10(22)12(24)14(31-5)32-35(27,28)33-34(25,26)29-4-6-9(21)11(23)13(30-6)17-2-1-7(19)16-15(17)36;;/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,25,26)(H,27,28)(H,16,19,36);;/q;2*+1/p-2
SMILES (canonical and isomeric)
C1=CN(C(=NC1=O)[S-])C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O)O.[Na+].[Na+]

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
626.33 g/molcalc.
Exact mass
625.9961 Dacalc.
LogP (octanol/water)
-10.81calc.
Topological polar surface area
279.9 Ųcalc.
Hydrogen bond donors
7calc.
Hydrogen bond acceptors
17calc.
Rotatable bonds
9calc.
Heavy atoms
38calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.73calc.
Formal charge
0calc.
Stereocentres
11calc.
Components
3calc.
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(C2CCC(CO[PH](=O)O[PH](=O)OC3CCCCO3)O2)cn1

O=c1ccn(C2CCC(CO[PH](=O)O[PH](=O)OC3CCCCO3)O2)cn1

3 rings, 26 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.

Orb1704338 suppliers

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Orb1704338 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 Orb1704338 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 Orb1704338 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb1704338, based on the data on this page

What is Orb1704338?

Orb1704338 is a chemical substance with the molecular formula C15H22N2Na2O16P2S and a molar mass of 626.33 g/mol. The IUPAC name is disodium, [3,4-dihydroxy-5-(4-oxo-2-sulfidopyrimidin-1-yl)oxolan-2-yl]methyl [hydroxy-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphoryl] phosphate.

What is the molecular formula and weight of Orb1704338?

The molecular formula of Orb1704338 is C15H22N2Na2O16P2S and its molar mass is 626.33 g/mol.

Is Orb1704338 hazardous?

No GHS hazard classification for Orb1704338 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 Orb1704338?

Orb1704338 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 Orb1704338?

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What is the price of Orb1704338?

Suppliers quote Orb1704338 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 Orb1704338

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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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