CompoundList
Sign in
Nucleosides and nucleotides

Orb3144950

Formula C25H38N7Na2O19P3SMolar mass 911.58 g/mol
Get quotes Safety data
Orb3144950 chemical structure, C25H38N7Na2O19P3S
2D chemical structure

Key facts

What buyers check first

All properties
Formula
C25H38N7Na2O19P3S
Molar mass
911.58 g/mol
HS code
293499
Category
Nucleosides and nucleotides

What is Orb3144950?

Plain description, key identifiers and synonyms

Orb3144950 is a chemical substance with the molecular formula C25H38N7Na2O19P3S and a molar mass of 911.58 g/mol. The IUPAC name is disodium, [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-[2-(3-carboxypropanoylsulfanyl)ethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-4-oxidooxolan-3-yl] hydrogen phosphate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
disodium, [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-[2-(3-carboxypropanoylsulfanyl)ethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-4-oxidooxolan-3-yl] hydrogen phosphate
Molecular formula
C25H38N7Na2O19P3S
InChIKey
YKBCMMXJPCONLJ-MOFQUYDDSA-M
InChI
InChI=1S/C25H39N7O19P3S.2Na/c1-25(2,20(38)23(39)28-6-5-14(33)27-7-8-55-16(36)4-3-15(34)35)10-48-54(45,46)51-53(43,44)47-9-13-19(50-52(40,41)42)18(37)24(49-13)32-12-31-17-21(26)29-11-30-22(17)32;;/h11-13,18-20,24,38H,3-10H2,1-2H3,(H,27,33)(H,28,39)(H,34,35)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42);;/q-1;2*+1/p-1/t13-,18-,19-,20+,24-;;/m1../s1
Canonical SMILES
CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C([O-])C1OP(=O)([O-])O)C(O)C(=O)NCCC(=O)NCCSC(=O)CCC(=O)O.[Na+].[Na+]
Isomeric SMILES
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)[O-])OP(=O)(O)[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)CCC(=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
911.58 g/molcalc.
Exact mass
911.0951 Dacalc.
LogP (octanol/water)
-8.73calc.
Topological polar surface area
406.6 Ųcalc.
Hydrogen bond donors
8calc.
Hydrogen bond acceptors
20calc.
Rotatable bonds
22calc.
Heavy atoms
57calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.64calc.
Formal charge
0calc.
Stereocentres
8calc.
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, c1ncc2ncn(C3CCCO3)c2n1

c1ncc2ncn(C3CCCO3)c2n1

3 rings, 14 atoms.

3,221 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.

Orb3144950 suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

No supplier listings yet

Post one free request and suppliers who make or trade Orb3144950 can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Orb3144950 price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

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 Orb3144950 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 Orb3144950 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb3144950, based on the data on this page

What is Orb3144950?

Orb3144950 is a chemical substance with the molecular formula C25H38N7Na2O19P3S and a molar mass of 911.58 g/mol.

What is the molecular formula and weight of Orb3144950?

The molecular formula of Orb3144950 is C25H38N7Na2O19P3S and its molar mass is 911.58 g/mol.

Is Orb3144950 hazardous?

No GHS hazard classification for Orb3144950 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 Orb3144950?

Orb3144950 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 Orb3144950?

Post a free request on CompoundList and suppliers of Orb3144950 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb3144950?

Suppliers quote Orb3144950 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 Orb3144950

Get quotes for Orb3144950

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Orb3144950
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Orb3144950 with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/orb3144950-cid-178203640" title="Orb3144950 structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Nucleosides and nucleotides or HS code 293499

Price on request
Free quotes, contact stays private
Get quotes