Bis{[(isopropoxycarbonyl)oxy]methyl} ({[(2R)-1-(6-amino-9H-purin-9-yl)-2-propanyl]oxy}methyl)phosphonate

Basic Information

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CAS Number

201341-05-1

Molecular Formula

C19H30N5O10P

Molecular Weight

519.45 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Insecticides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Boiling Point

642.7°C at 760 mmHg

Density

1.45

Flash Point

342.5°C

Refractive Index

1.578

SMILES

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CC(C)OC(=O)OCOP(=O)(COC(C)CN1C=NC2=C(N=CN=C21)N)OCOC(=O)OC(C)C

InChI

InChI=1S/C19H30N5O10P/c1-12(2)33-18(25)28-9-31-35(27,32-10-29-19(26)34-13(3)4)11-30-14(5)6-24-8-23-15-16(20)21-7-22-17(15)24/h7-8,12-14H,6,9-11H2,1-5H3,(H2,20,21,22)/t14-/m1/s1

InChIKey

JFVZFKDSXNQEJW-CQSZACIVSA-N

LogP

3.0356000000000014

Topological Polar Surface Area

185.43999999999997 Å²

Hydrogen Bond Donor/Acceptor

2 / 15

Complexity

698

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

PMPA prodrug
C19H30N5O10P
tenofovir-disoproxil
(r)-bis(poc)pmpa
MLS006010919
F4YU4LON7I
TELURA COMPONENT OF TENOFOVIR DISOPROXIL
TENOFOVIR DISOPROXIL [EMA EPAR]
MFCD00952920
Bis(POC)PMPA
UNII-F4YU4LON7I
[[(1R)-2-(6-aminopurin-9-yl)-1-methyl-ethoxy]methyl-(isopropoxycarbonyloxymethoxy)phosphoryl]oxymethyl isopropyl carbonate
s5959
9-[(r)-2-[[bis[[(isopropoxycarbonyl)oxy]methoxy]phosphinyl]methoxy]propyl]adenine
J-519478
DTXSID5052757
HY-13782A
bis({[(propan-2-yloxy)carbonyl]oxy}methyl) ({[(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy}methyl)phosphonate
AB01568241_01
(R)-(((1-(6-amino-9H-purin-9-yl)propan-2-yloxy)methyl)phosphoryl)bis(oxy)bis(methylene) isopropyl dicarbonate
GS-4331
2,4,6,8-TETRAOXA-5-PHOSPHANONANEDIOIC ACID, 5-(((1R)-2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY)METHYL)-, 1,9-BIS(1-METHYLETHYL) ESTER, 5-OXIDE
Bis(POC)-PMPA;GS 4331
EN300-7361867
CHEBI:63717
CHEMBL1538
Bis(isopropyloxymethylcarbonyl)PMPA
TENOFOVIR DISOPROXIL (GS 4331)
(R)-(((((1-(6-Amino-9H-purin-9-yl)propan-2-yl)oxy)methyl)phosphoryl)bis(oxy))bis(methylene)diisopropyldicarbonate
(R)-(((((1-(6-amino-9H-purin-9-yl)propan-2-yl)oxy)methyl)phosphoryl)bis(oxy))bis(methylene) diisopropyl bis(carbonate)
bis({[(propan-2-yloxy)carbonyl]oxy}methyl) {[(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy}methanephosphonate

MDL Number

MFCD00952920

FAQ

What is Bis{[(isopropoxycarbonyl)oxy]methyl} ({[(2R)-1-(6-amino-9H-purin-9-yl)-2-propanyl]oxy}methyl)phosphonate (CAS: 201341-05-1)?

Bis{[(isopropoxycarbonyl)oxy]methyl} ({[(2R)-1-(6-amino-9H-purin-9-yl)-2-propanyl]oxy}methyl)phosphonate (CAS: 201341-05-1) is a phosphonate compound that contains a purine ring and isopropoxycarbonyl groups. It is known for its complex structure and potential applications in medicinal chemistry. The compound exhibits moderate solubility in polar solvents and is typically used in research settings for its biological activity.

What are the main uses of Bis{[(isopropoxycarbonyl)oxy]methyl} ({[(2R)-1-(6-amino-9H-purin-9-yl)-2-propanyl]oxy}methyl)phosphonate (CAS: 201341-05-1)?

This compound is primarily used in pharmaceutical research, particularly in the development of nucleoside analogs and antiviral agents. It may also find applications in organic synthesis and as a building block for more complex molecules. Its unique structure makes it relevant in studies related to DNA and RNA interactions, and it is often utilized in drug discovery processes.

Is Bis{[(isopropoxycarbonyl)oxy]methyl} ({[(2R)-1-(6-amino-9H-purin-9-yl)-2-propanyl]oxy}methyl)phosphonate (CAS: 201341-05-1) safe?

Bis{[(isopropoxycarbonyl)oxy]methyl} ({[(2R)-1-(6-amino-9H-purin-9-yl)-2-propanyl]oxy}methyl)phosphonate (CAS: 201341-05-1) is generally considered safe when handled properly in controlled environments. As with many chemical compounds, it is important to follow standard safety protocols, such as using protective gloves and eyewear, and ensuring adequate ventilation. Safety data sheets (SDS) should be consulted for detailed handling and exposure guidelines.

How should Bis{[(isopropoxycarbonyl)oxy]methyl} ({[(2R)-1-(6-amino-9H-purin-9-yl)-2-propanyl]oxy}methyl)phosphonate (CAS: 201341-05-1) be stored?

This compound should be stored in a cool, dry, and dark place, ideally at temperatures below 25°C. It is recommended to keep it in a sealed container to prevent moisture absorption and contamination. Avoid exposure to light and air, and ensure storage in a well-ventilated area to maintain stability and prolong shelf life.