Basic information
- CAS
1189929-36-9- Standard SMILES
CCOP(=O)(COCCn1cnc2c(N)ncnc21)OCC- InChIKey
SACBMARVYGBCAK-UHFFFAOYSA-N- Molecular formula
- C12H20N5O4P
- Average molar mass
- 329.29 g/mol
Names & identifiers
- Preferred name
- Diethyl ((2-(6-amino-9H-purin-9-yl)ethoxy)methyl)phosphonate
- IUPAC
- 9-[2-(diethoxyphosphorylmethoxy)ethyl]purin-6-amine
- English name
- ADEFOVIR-D4, DIETHYL ESTER
- Molecular formula
- C12H20N5O4P
- Molecular weight
- 329.292061
Names & synonyms
116384-53-3Diethyl ((2-(6-amino-9H-purin-9-yl)ethoxy)methyl)phosphonate[[2-(6-Amino-9H-purin-9-yl)ethoxy]methyl]phosphonic acid diethyl ester9-[2-(Diethylphosphonomethoxy)ethyl]adenine9-[2-(diethoxyphosphorylmethoxy)ethyl]purin-6-amineMFCD07783825diethyl {[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}phosphonatePMEA diethyl esterDiethyl [[2-(6-Amino-9H-purin-9-yl)ethoxy]methyl]phosphonatePhosphonic acid, P-[[2-(6-amino-9H-purin-9-yl)ethoxy]methyl]-, diethyl esterDTXSID90332903Diethyl [[2-(6-Amino-9-purinyl)ethoxy]methyl]phosphonate
Show more names
Ethylone Impurity 1ADEFOVIR-D4, DIETHYL ESTER[2-(6-Amino-9H-purin-9-yl)ethoxy-d4]methylphosphonic Acid Diethyl Ester9-[1,1,2,2-tetradeuterio-2-(diethoxyphosphorylmethoxy)ethyl]purin-6-amineP-[[2-(6-AMino-9H-purin-9-yl)ethoxy-d4]Methyl]phosphonic Acid Diethyl Ester
C12H20N5O4P9-[2-(Diethoxyphosphorylmethoxy)ethyl]adenineCHEMBL55800Adefovir Dipivoxil IntermediateSCHEMBL3302566SACBMARVYGBCAK-UHFFFAOYSA-NAKOS015895099AC-3498
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 379
Physicochemical properties
- Melting point
- 130 · 130-132°C
- storage temp.
- Refrigerator
- solubility
- DMSO
- form
- Solid
- color
- Off-White
Chemistry & industry
Applications
UsesA labelled phosphonate ester of Adefovir, as an antiviral agent.
Suppliers4 total
凯试（上海）科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
Related reactions
0 records
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Compound notes
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