Diphenyl-9-(2-phosphonylmethoxyethyl)adenine
Basic information
- CAS
142341-24-0- Standard SMILES
Nc1ncnc2c1ncn2CCOCP(=O)(Oc1ccccc1)Oc1ccccc1- InChIKey
QNEKETGRJAVLNV-UHFFFAOYSA-N- Molecular formula
- C20H20N5O4P
- Average molar mass
- 425.4 g/mol
- Monoisotopic mass
- 425.12529113
Overview
structure given in first source
Names & identifiers
- Preferred name
- Diphenyl-9-(2-phosphonylmethoxyethyl)adenine
- IUPAC
- 9-[2-(diphenoxyphosphorylmethoxy)ethyl]purin-6-amine
Names & synonyms
Diphenyl-PMEADiphenyl-9-(2-phosphonylmethoxyethyl)adenine142341-24-0DTXSID90162020RefChem:134657DTXCID00845119-[2-(diphenoxyphosphorylmethoxy)ethyl]purin-6-amineDiphenyl ((2-(6-amino-9H-purin-9-yl)ethoxy)methyl)phosphonatediphenyl {[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}phosphonatePhosphonic acid, ((2-(6-amino-9H-purin-9-yl)ethoxy)methyl)-, diphenyl esterPhosphonic acid, [[2-(6-amino-9H-purin-9-yl)ethoxy]methyl]-, diphenyl esterCHEMBL53602
Show more names
SCHEMBL15532108
Database identifiers
- CAS
142341-24-0- PubChem CID
- 463352
- DTXSID
DTXSID90162020- ChEMBL
CHEMBL53602- Nikkaji
- J592.487A
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 549
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Related reactions
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Compound notes
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