9-[(2R)-2-(diphenoxyphosphorylmethoxy)propyl]purin-6-amine
Basic information
- CAS
342631-41-8- Standard SMILES
C[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(Oc1ccccc1)Oc1ccccc1- InChIKey
XWTDSRIRFPGRAW-MRXNPFEDSA-N- Molecular formula
- C21H22N5O4P
- Average molar mass
- 439.4 g/mol
- Monoisotopic mass
- 439.1409412
Names & identifiers
- Preferred name
- 9-[(2R)-2-(diphenoxyphosphorylmethoxy)propyl]purin-6-amine
- IUPAC
- 9-[(2R)-2-(diphenoxyphosphorylmethoxy)propyl]purin-6-amine
- English name
- Tenofovir Related Compound 1
- Molecular formula
- C21H22N5O4P
- Molecular weight
- 439.4
Names & synonyms
342631-41-89-[(2R)-2-(diphenoxyphosphorylmethoxy)propyl]purin-6-amine(R)-Diphenyl (((1-(6-amino-9H-purin-9-yl)propan-2-yl)oxy)methyl)phosphonateDIPHENYL (R)-(((1-(6-AMINO-9H-PURIN-9-YL)PROPAN-2-YL)OXY)METHYL)PHOSPHONATEG2GN8Y38TVTenofovir Disoproxil Impurity CPhosphonic acid, (((1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy)methyl)-, diphenyl ester[(1R)-2-(6-Amino-9H-purin-9-yl)-1-methylethoxy]methyl]phosphonic Acid, Diphenyl EsterUNII-G2GN8Y38TVCHEMBL9954orb1146594SCHEMBL17204381
Show more names
TAF-IM-D1TAF Impurity 4TAF Impurity ATenofovir alafenamide-5enofovir Related Compound 1Tenofovir Related Compound 1Tenofovir related Impurity 2TENOFOVIR ALAFEMIDE IMPURITY 3Tenofovir Alafenamide Impurity 1Tenofovir Alafenamide Impurity A
C21H22N5O4PTenofovir Alafenamide Impurity 1?CS-0164428F19321(R)-Diphenyl(((1-(6-amino-9H-purin-9-yl)propan-2-yl)oxy)methyl)phosphonate(R)-diphenyl (((1-(6-amino-9H-purin-9-yl)propan-2-yl)oxy)methyl)phosphonate? (tenofovir Impurity pound(c)Phosphonic acid, [[[(1R)-2-(6-amino-9H-purin-9-yl)-1-methylethyl]oxy]methyl]-, diphenyl ester
Database identifiers
- CAS
342631-41-8- PubChem CID
- 5482365
- ChEMBL
CHEMBL9954- UNII
- G2GN8Y38TV
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 578
Physicochemical properties
- Boiling point
- 636.3 · 636.3±65.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- solubility
- Chloroform (Slightly, Sonicated), Methanol (Slightly)
- form
- Solid
- pka
- 4.21 · 4.21±0.10(Predicted)
- color
- White to Pale Beige
- InChIKey
- XWTDSRIRFPGRAW-MRXNPFEDSA-N
- SMILES
- C(P(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1)O[C@H](C)CN1C2C(N=C1)=C(N)N=CN=2
- FDA UNII
- 2 GN8Y38TV · G2GN8Y38TV
Chemistry & industry
Applications
Uses(R)-Diphenyl (((1-(6-amino-9H-purin-9-yl)propan-2-yl)oxy)methyl)phosphonate is a reagent for the synthesis of amidate prodrugs of PMEA and PMPA. Also functions as a reagent in the preparation of tenofovir alafenamide fumarate impurity.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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