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Nucleosides and nucleotides

Orb1983451

Formula C23H37LiN7O17P3SMolar mass 815.51 g/mol
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Orb1983451 chemical structure, C23H37LiN7O17P3S
2D chemical structure

Key facts

What buyers check first

All properties
Formula
C23H37LiN7O17P3S
Molar mass
815.51 g/mol
HS code
293499
Category
Nucleosides and nucleotides

What is Orb1983451?

Plain description, key identifiers and synonyms

Orb1983451 is a chemical substance with the molecular formula C23H37LiN7O17P3S and a molar mass of 815.51 g/mol. The IUPAC name is lithium [[(3R)-4-[[3-(2-acetylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl phosphate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
lithium [[(3R)-4-[[3-(2-acetylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl phosphate
Molecular formula
C23H37LiN7O17P3S
InChI
InChI=1S/C23H38N7O17P3S.Li/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30;/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38);/q;+1/p-1/t13-,16-,17-,18+,22-;/m1./s1
Canonical SMILES
CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)([O-])OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.[Li+]
Isomeric SMILES
[Li+].CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(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)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
815.51 g/molcalc.
Exact mass
815.134 Dacalc.
LogP (octanol/water)
-4.94calc.
Topological polar surface area
366.5 Ųcalc.
Hydrogen bond donors
8calc.
Hydrogen bond acceptors
19calc.
Rotatable bonds
19calc.
Heavy atoms
52calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.65calc.
Formal charge
0calc.
Stereocentres
7calc.
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, 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.

Orb1983451 suppliers

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Orb1983451 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 Orb1983451 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 Orb1983451 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb1983451, based on the data on this page

What is Orb1983451?

Orb1983451 is a chemical substance with the molecular formula C23H37LiN7O17P3S and a molar mass of 815.51 g/mol.

What is the molecular formula and weight of Orb1983451?

The molecular formula of Orb1983451 is C23H37LiN7O17P3S and its molar mass is 815.51 g/mol.

Is Orb1983451 hazardous?

No GHS hazard classification for Orb1983451 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 Orb1983451?

Orb1983451 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 Orb1983451?

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What is the price of Orb1983451?

Suppliers quote Orb1983451 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 Orb1983451

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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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