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Nucleosides and nucleotides

Orb63432

Also known as Adenosine 5'-(trihydrogen diphosphate), 2'(or 3')-[2-(methylamino)benzoate]

CAS 151481-85-5Formula C36H44N12O22P4Molar mass 1,120.71 g/mol
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Orb63432 chemical structure, C36H44N12O22P4, CAS 151481-85-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
151481-85-5
Formula
C36H44N12O22P4
Molar mass
1,120.71 g/mol
HS code
293499
Category
Nucleosides and nucleotides

What is Orb63432?

Plain description, key identifiers and synonyms

Orb63432 is a chemical substance with the molecular formula C36H44N12O22P4 and a molar mass of 1,120.71 g/mol. Its CAS registry number is 151481-85-5. The IUPAC name is [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] 2-(methylamino)benzoate, [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] 2-(methylamino)benzoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] 2-(methylamino)benzoate, [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] 2-(methylamino)benzoate
CAS number
151481-85-5
Molecular formula
C36H44N12O22P4
InChIKey
HYWIWEIBMXSCMT-MRLVPOOISA-N
InChI
InChI=1S/2C18H22N6O11P2/c1-20-10-5-3-2-4-9(10)18(26)34-14-11(6-32-37(30,31)35-36(27,28)29)33-17(13(14)25)24-8-23-12-15(19)21-7-22-16(12)24;1-20-10-5-3-2-4-9(10)18(26)34-14-13(25)11(6-32-37(30,31)35-36(27,28)29)33-17(14)24-8-23-12-15(19)21-7-22-16(12)24/h2*2-5,7-8,11,13-14,17,20,25H,6H2,1H3,(H,30,31)(H2,19,21,22)(H2,27,28,29)/t2*11-,13-,14-,17-/m11/s1
Canonical SMILES
CNc1ccccc1C(=O)OC1C(COP(=O)(O)OP(=O)(O)O)OC(n2cnc3c(N)ncnc32)C1O.CNc1ccccc1C(=O)OC1C(O)C(COP(=O)(O)OP(=O)(O)O)OC1n1cnc2c(N)ncnc21
Isomeric SMILES
CNC1=CC=CC=C1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)N3C=NC4=C(N=CN=C43)N)COP(=O)(O)OP(=O)(O)O.CNC1=CC=CC=C1C(=O)O[C@@H]2[C@@H]([C@H](O[C@H]2N3C=NC4=C(N=CN=C43)N)COP(=O)(O)OP(=O)(O)O)O

Synonyms

  • Adenosine 5'-(trihydrogen diphosphate), 2'(or 3')-[2-(methylamino)benzoate]

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
1,120.71 g/molcalc.
Exact mass
1,120.1644 Dacalc.
LogP (octanol/water)
0.32calc.
Topological polar surface area
501.4 Ųcalc.
Hydrogen bond donors
12calc.
Hydrogen bond acceptors
26calc.
Rotatable bonds
18calc.
Heavy atoms
74calc.
Rings
8calc.
Aromatic rings
6calc.
Fraction sp3 carbons
0.33calc.
Formal charge
0calc.
Stereocentres
10calc.
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=C(OC1COC(n2cnc3cncnc32)C1)c1ccccc1

O=C(OC1COC(n2cnc3cncnc32)C1)c1ccccc1

4 rings, 23 atoms.

14 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.

Orb63432 suppliers

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Orb63432 price

Indicative price range per kg from live supplier offers

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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 Orb63432 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 Orb63432 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb63432, based on the data on this page

What is Orb63432?

Orb63432 is a chemical substance with the molecular formula C36H44N12O22P4 and a molar mass of 1,120.71 g/mol. Its CAS registry number is 151481-85-5.

What is the CAS number of Orb63432?

The CAS registry number of Orb63432 is 151481-85-5.

What is the molecular formula and weight of Orb63432?

The molecular formula of Orb63432 is C36H44N12O22P4 and its molar mass is 1,120.71 g/mol.

Is Orb63432 hazardous?

No GHS hazard classification for Orb63432 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 Orb63432?

Orb63432 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 Orb63432?

Post a free request on CompoundList and suppliers of Orb63432 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb63432?

Suppliers quote Orb63432 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 Orb63432

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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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