Basic information
- CAS
142341-04-6- Standard SMILES
CCOP(=O)(COCCn1cnc2c(N)ncnc21)OCOC(=O)C(C)(C)C- InChIKey
NOZLVTCICOSPFI-UHFFFAOYSA-N- Molecular formula
- C16H26N5O6P
- Average molar mass
- 415.38 g/mol
- Monoisotopic mass
- 415.16207056
Names & identifiers
- Preferred name
- ((((2-(6-Amino-9H-purin-9-yl)ethoxy)methyl)(ethoxy)phosphoryl)oxy)methyl pivalate
- IUPAC
- [2-(6-aminopurin-9-yl)ethoxymethyl-ethoxyphosphoryl]oxymethyl 2,2-dimethylpropanoate
- English name
- Propanoic acid, 2,2-dimethyl-, [[[[2-(6-amino-9H-purin-9-yl)ethoxy]methyl]ethoxyphosphinyl]oxy]methyl ester
- Molecular formula
- C16H26N5O6P
- Molecular weight
- 415.38
Names & synonyms
142341-04-6((((2-(6-Amino-9H-purin-9-yl)ethoxy)methyl)(ethoxy)phosphoryl)oxy)methyl pivalateMono-POM Ethyl AdefovirAdefovir Impurity E((((2-(6-Amino-9H-purin-9-yl)ethoxy)methyl)-(ethoxy)phosphoryl)oxy)methyl pivalate[2-(6-aminopurin-9-yl)ethoxymethyl-ethoxyphosphoryl]oxymethyl 2,2-dimethylpropanoate[({[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}(ethoxy)phosphoryl)oxy]methyl 2,2-dimethylpropanoateAdefovir Dipivoxyl Impurity CC16H26N5O6P{[{[2-(6-Amino-9H-purin-9-yl)ethoxy]methyl}(ethoxy)phosphoryl]oxy}methyl 2,2-dimethylpropanoateMono(pivaloyloxymethyl) Ethyl Adefovir; 2,2-Dimethylpropanoic Acid [[[[2-(6-amino-9H-purin-9-yl)ethoxy]methyl]ethoxyphosphinyl]oxy]methyl esterMFCD00869908
Show more names
Adefovir Dipivoxil Impurity C2,2-dimethylpropanoic acid [2-(6-aminopurin-9-yl)ethoxymethyl-ethoxyphosphoryl]oxymethyl esterPropanoic acid, 2,2-dimethyl-, [[[[2-(6-amino-9H-purin-9-yl)ethoxy]methyl]ethoxyphosphinyl]oxy]methy
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 12
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 560
Physicochemical properties
- Melting point
- 68 · 68-70°C
- Boiling point
- 586.4 · 586.4±60.0 °C(Predicted)
- Density
- 1.39 · 1.39
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 4.17 · 4.17±0.10(Predicted)
- color
- Pale Yellow
- Stability
- Moisture Sensitive
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesAn analogue of the antiviral drug Adefovir (A247500) with a mono-POM ester protecting group.
Suppliers37 total
济南百隆化学有限公司[email protected] · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
深圳市洛克医药科技有限公司13128912434 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
深圳振强药物研发有限公司
Related reactions
0 records
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Compound notes
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