ChemSpider 2D Image | Adefovir dipivoxil | C20H32N5O8P

Adefovir dipivoxil

  • Molecular FormulaC20H32N5O8P
  • Average mass501.470 Da
  • Monoisotopic mass501.198853 Da
  • ChemSpider ID54855

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

({[2-(6-Amino-9H-purin-9-yl)ethoxy]methyl}phosphoryl)bis(oxymethylen)-bis(2,2-dimethylpropanoat) [German] [ACD/IUPAC Name]
({[2-(6-Amino-9H-purin-9-yl)ethoxy]methyl}phosphoryl)bis(oxymethylene) bis(2,2-dimethylpropanoate) [ACD/IUPAC Name]
[({[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}({[(2,2-dimethylpropanoyl)oxy]methoxy})phosphoryl)oxy]methyl 2,2-dimethylpropanoate
142340-99-6 [RN]
2,2-diméthylpropanoate de 3-{[2-(6-amino-9H-purin-9-yl)éthoxy]méthyl}-8,8-diméthyl-3-oxido-7-oxo-2,4,6-trioxa-3-phosphanon-1-yle
3-{[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}-8,8-dimethyl-3-oxido-7-oxo-2,4,6-trioxa-3-phosphanon-1-yl 2,2-dimethylpropanoate
3-{[2-(6-Amino-9H-purin-9-yl)ethoxy]methyl}-8,8-dimethyl-3-oxido-7-oxo-2,4,6-trioxa-3-phosphanon-1-yl-2,2-dimethylpropanoat
3-{[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}-8,8-dimethyl-3-oxido-7-oxo-2,4,6-trioxa-3λ5-phosphanon-1-yl 2,2-dimethylpropanoate
3-{[2-(6-Amino-9H-purin-9-yl)ethoxy]methyl}-8,8-dimethyl-3-oxido-7-oxo-2,4,6-trioxa-3λ5-phosphanon-1-yl pivalate
3-{[2-(6-Amino-9H-purin-9-yl)ethoxy]methyl}-8,8-dimethyl-3-oxido-7-oxo-2,4,6-trioxa-3λ5-phosphanon-1-yl-2,2-dimethylpropanoat
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AI3-50679 [DBID]
AIDS028595 [DBID]
AIDS-028595 [DBID]
CCRIS 937 [DBID]
D01655 [DBID]
GS 0840 [DBID]
GS 840 [DBID]
GS-0840 [DBID]
GS-840 [DBID]
LS-173141 [DBID]
  • Experimental Physico-chemical Properties
  • Predicted Physico-chemical Properties
  • Miscellaneous

    • Target Organs:

      Antiviral; Reverse Transcriptase Inhibitor TargetMol T1675

    • Chemical Class:

      An organic phosphonate that is the dipivoxil ester of adefovir. A prodrug for adefovir, an HIV-1 reverse transcriptase inhibitor, adefovir pivoxil is used to treat chronic hepatitis B viral infection. ChEBI CHEBI:31175

    • Bio Activity:

      Adefovir Dipivoxil works by blocking reverse transcriptase, an enzyme that is crucial for the hepatitis B virus (HBV) to reproduce in the body. MedChem Express
      Adefovir Dipivoxil works by blocking reverse transcriptase, an enzyme that is crucial for the hepatitis B virus (HBV) to reproduce in the body.; Target: NRTIs; HBV; Adefovir Dipivoxil works by blocking reverse transcriptase, an enzyme that is crucial for the hepatitis B virus (HBV) to reproduce in the body. MedChem Express HY-B0255
      Adefovir Dipivoxil works by blocking reverse transcriptase, an enzyme that is crucial for the hepatitis B virus (HBV) to reproduce in the body.;Target: NRTIs; HBVAdefovir Dipivoxil works by blocking reverse transcriptase, an enzyme that is crucial for the hepatitis B virus (HBV) to reproduce in the body. Adefovir Dipivoxil is used for treatment of hepatitis B and herpes simplex virus infection [1-3]. Adefovir Dipivoxil is approved for the treatment of chronic hepatitis B in adults with evidence of active viral replication and either evidence of persistent elevations in serum aminotransferases (primarily ALT) or histologically active disease. Adefovir Dipivoxil is a failed treatment for HIV[3, 4]. MedChem Express HY-B0255
      Anti-infection MedChem Express HY-B0255
      Anti-infection; MedChem Express HY-B0255
      HBV MedChem Express HY-B0255
      HBV NRTIs MedChem Express HY-B0255
      Microbiology & Virology TargetMol T1675
      Reverse Transcriptase Inhibitor;Protein P;Reverse Transcriptase TargetMol T1675

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 641.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.6±3.0 kJ/mol
Flash Point: 341.5±34.3 °C
Index of Refraction: 1.569
Molar Refractivity: 121.0±0.5 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 25.69
ACD/KOC (pH 5.5): 348.13
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 27.62
ACD/KOC (pH 7.4): 374.24
Polar Surface Area: 177 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 51.2±7.0 dyne/cm
Molar Volume: 369.1±7.0 cm3

Click to predict properties on the Chemicalize site


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