Fpmpdap
PubChem CID
452995
Structure
Molecular Formula
Synonyms
- FPMPDAP
- 135295-28-2
- (RS) 9-((2RS)-3-Fluoro-2-phosphonylmethoxypropyl)-2,6-diaminopurine
- Phosphonic acid, ((2-(2,6-diamino-9H-purin-9-yl)-1-(fluoromethyl)ethoxy)methyl)-, (1)-
- (RS) 9-[(2RS)-3-Fluoro-2-phosphonylmethoxypropyl]-2,6-diaminopurine
Molecular Weight
320.22 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-08-01
- Modify:2024-12-07
Chemical Structure Depiction
[1-(2,6-diaminopurin-9-yl)-3-fluoropropan-2-yl]oxymethylphosphonic acid
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C9H14FN6O4P/c10-1-5(20-4-21(17,18)19)2-16-3-13-6-7(11)14-9(12)15-8(6)16/h3,5H,1-2,4H2,(H2,17,18,19)(H4,11,12,14,15)
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
GFVHBMMZFJJYDN-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C1=NC2=C(N=C(N=C2N1CC(CF)OCP(=O)(O)O)N)N
Computed by OEChem 2.3.0 (PubChem release 2021.10.14)
C9H14FN6O4P
Computed by PubChem 2.2 (PubChem release 2021.10.14)
135295-28-2
- FPMPDAP
- 135295-28-2
- (RS) 9-((2RS)-3-Fluoro-2-phosphonylmethoxypropyl)-2,6-diaminopurine
- Phosphonic acid, ((2-(2,6-diamino-9H-purin-9-yl)-1-(fluoromethyl)ethoxy)methyl)-, (1)-
- (RS) 9-[(2RS)-3-Fluoro-2-phosphonylmethoxypropyl]-2,6-diaminopurine
- Phosphonic acid, [[2-(2,6-diamino-9H-purin-9-yl)-1-(fluoromethyl)ethoxy]methyl]-, (1)-
- SCHEMBL3860363
- DTXSID10928948
- PD163661
- [1-[(2,6-diaminopurin-9-yl)methyl]-2-fluoro-ethoxy]methylphosphonic acid
- ({[1-(6-Amino-2-imino-1,2-dihydro-9H-purin-9-yl)-3-fluoropropan-2-yl]oxy}methyl)phosphonic acid
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
320.22 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
-2.2
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
10
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
6
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
320.07981811 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
320.07981811 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
162Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
21
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
400
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
1
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Parent, Connectivity Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
PubMed Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=GFVHBMMZFJJYDN-UHFFFAOYSA-N
- ChemIDplusPhosphonic acid, ((2-(2,6-diamino-9H-purin-9-yl)-1-(fluoromethyl)ethoxy)methyl)-, (1)-https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0135295282ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSTox({[1-(6-Amino-2-imino-1,2-dihydro-9H-purin-9-yl)-3-fluoropropan-2-yl]oxy}methyl)phosphonic acidhttps://comptox.epa.gov/dashboard/DTXSID10928948
- Japan Chemical Substance Dictionary (Nikkaji)
- Springer Nature
- Wikidata({[1-(6-Amino-2-imino-1,2-dihydro-9H-purin-9-yl)-3-fluoropropan-2-yl]oxy}methyl)phosphonic acidhttps://www.wikidata.org/wiki/Q82903776
- PubChemPFAS and Fluorinated Compounds in PubChemhttps://gitlab.com/uniluxembourg/lcsb/eci/pubchem-docs/-/raw/main/pfas-tree/PFAS_Tree.pdf?inline=false
- PATENTSCOPE (WIPO)SID 389303902https://pubchem.ncbi.nlm.nih.gov/substance/389303902
CONTENTS