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Isotope-labelled compounds

Orb3138802

Also known as TMID-1013, disodium, [(2R,3S,5R)-3-hydroxy-5-(5-(113C)methyl-2,4-dioxo(2,4,5,6-13C4,1,3-15N2)pyrimidin-1-yl)(2,3,4,5-13C4)oxolan-2-yl](113C)methyl phosphate

CAS 1485539-28-3Formula C10H13N2Na2O8PMolar mass 378.08 g/mol
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Orb3138802 chemical structure, C10H13N2Na2O8P, CAS 1485539-28-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1485539-28-3
Formula
C10H13N2Na2O8P
Molar mass
378.08 g/mol
HS code
284590
Category
Isotope-labelled compounds

What is Orb3138802?

Plain description, key identifiers and synonyms

Orb3138802 is a chemical substance with the molecular formula C10H13N2Na2O8P and a molar mass of 378.08 g/mol. Its CAS registry number is 1485539-28-3. The IUPAC name is disodium, [(2R,3S,5R)-3-hydroxy-5-(5-(113C)methyl-2,4-dioxo(2,4,5,6-13C4,1,3-15N2)pyrimidin-1-yl)(2,3,4,5-13C4)oxolan-2-yl](113C)methyl phosphate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
disodium, [(2R,3S,5R)-3-hydroxy-5-(5-(113C)methyl-2,4-dioxo(2,4,5,6-13C4,1,3-15N2)pyrimidin-1-yl)(2,3,4,5-13C4)oxolan-2-yl](113C)methyl phosphate
CAS number
1485539-28-3
Molecular formula
C10H13N2Na2O8P
InChIKey
AGSQMPPRYZYDFV-XQKKEPRHSA-L
InChI
InChI=1S/C10H15N2O8P.2Na/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18;;/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18);;/q;2*+1/p-2/t6-,7+,8+;;/m0../s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1;;
Canonical SMILES
Cc1cn(C2CC(O)C(COP(=O)([O-])[O-])O2)c(=O)[nH]c1=O.[Na+].[Na+]
Isomeric SMILES
[13CH3][13C]1=[13CH][15N]([13C](=O)[15NH][13C]1=O)[13C@H]2[13CH2][13C@@H]([13C@H](O2)[13CH2]OP(=O)([O-])[O-])O.[Na+].[Na+]

Synonyms

  • TMID-1013
  • disodium, [(2R,3S,5R)-3-hydroxy-5-(5-(113C)methyl-2,4-dioxo(2,4,5,6-13C4,1,3-15N2)pyrimidin-1-yl)(2,3,4,5-13C4)oxolan-2-yl](113C)methyl phosphate

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
378.08 g/molcalc.
Exact mass
378.0481 Dacalc.
LogP (octanol/water)
-8.65calc.
Topological polar surface area
156.7 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
4calc.
Heavy atoms
23calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.6calc.
Formal charge
0calc.
Stereocentres
3calc.
Components
3calc.
Lipinski rule of five
Passes (0 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(C2CCCO2)c(=O)[nH]1

O=c1ccn(C2CCCO2)c(=O)[nH]1

2 rings, 13 atoms, the Tetrahydrofuryluracil ring system.

3,051 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.

Orb3138802 suppliers

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Orb3138802 price

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Uses and applications

What the substance is used for, by industry and function

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 Orb3138802 is traded under.

HS 2845.90Indicative HS code

Compounds, inorganic or organic, of such isotopes, whether or not chemically defined

World exports in 2024
$2.67B
+19.0% vs 2023, imports $1.67B
2019 to 2024
Top exporters
  1. Ireland55.3%
  2. Hong Kong11.8%
  3. United States10.7%
Top importers
  1. China24.3%
  2. Ireland21.9%
  3. South Korea13.3%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Orb3138802 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb3138802, based on the data on this page

What is Orb3138802?

Orb3138802 is a chemical substance with the molecular formula C10H13N2Na2O8P and a molar mass of 378.08 g/mol. Its CAS registry number is 1485539-28-3. The IUPAC name is disodium, [(2R,3S,5R)-3-hydroxy-5-(5-(113C)methyl-2,4-dioxo(2,4,5,6-13C4,1,3-15N2)pyrimidin-1-yl)(2,3,4,5-13C4)oxolan-2-yl](113C)methyl phosphate.

What is the CAS number of Orb3138802?

The CAS registry number of Orb3138802 is 1485539-28-3.

What is the molecular formula and weight of Orb3138802?

The molecular formula of Orb3138802 is C10H13N2Na2O8P and its molar mass is 378.08 g/mol.

What is Orb3138802 used for?

Known uses and roles of Orb3138802 include isotope-labelled compounds in research and laboratory.

Is Orb3138802 hazardous?

No GHS hazard classification for Orb3138802 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 Orb3138802?

Orb3138802 is usually classified under HS code 284590 (Isotopes other than those of heading 2844, compounds, inorganic or organic, of such…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb3138802?

Post a free request on CompoundList and suppliers of Orb3138802 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb3138802?

Suppliers quote Orb3138802 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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