(2R,3S,4R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)-2,3,4,5-tetramethyloxolane-3,4-diol

C14H20FN5O4 — CID 42553034

IUPAC(2R,3S,4R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)-2,3,4,5-tetramethyloxolane-3,4-diol
SMILESC[C@]1(O)[C@@](C)(O)[C@@](C)(CO)O[C@@]1(C)n1cnc2c(N)nc(F)nc21
InChIInChI=1S/C14H20FN5O4/c1-11(5-21)12(2,22)13(3,23)14(4,24-11)20-6-17-7-8(16)18-10(15)19-9(7)20/h6,21-23H,5H2,1-4H3,(H2,16,18,19)/t11-,12+,13+,14-/m1/s1
InChIKeyAWHYHMJLISBZQX-ZOBORPQBSA-N
MW341.34 g/mol
LogP-0.50
Rot. Bonds2

About (2R,3S,4R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)-2,3,4,5-tetramethyloxolane-3,4-diol

(2R,3S,4R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)-2,3,4,5-tetramethyloxolane-3,4-diol (PubChem CID 42553034) has the molecular formula C14H20FN5O4 and a molecular weight of 341.34 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)-2,3,4,5-tetramethyloxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)-2,3,4,5-tetramethyloxolane-3,4-diol
PubChem CID42553034
Molecular FormulaC14H20FN5O4
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC Name(2R,3S,4R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)-2,3,4,5-tetramethyloxolane-3,4-diol
SMILESC[C@]1(O)[C@@](C)(O)[C@@](C)(CO)O[C@@]1(C)n1cnc2c(N)nc(F)nc21
InChIInChI=1S/C14H20FN5O4/c1-11(5-21)12(2,22)13(3,23)14(4,24-11)20-6-17-7-8(16)18-10(15)19-9(7)20/h6,21-23H,5H2,1-4H3,(H2,16,18,19)/t11-,12+,13+,14-/m1/s1
InChIKeyAWHYHMJLISBZQX-ZOBORPQBSA-N
XLogP-0.50
TPSA139.54 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 5-0.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze (2R,3S,4R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)-2,3,4,5-tetramethyloxolane-3,4-diol with MolForge

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Launch Full Analysis

Related Compounds

ethane;2-fluoro-9-methylpurin-6-amine
CID 169190539
[(5S)-5-(6-amino-2-fluoropurin-9-yl)-3-hydroxy-5-(hydroxymethyl)-2-methylfuran-2-yl]methyl dihydrogen phosphate
CID 144530353
[(3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-(hydroxymethyl)-3-methyloxolan-2-yl]methanol
CID 170212867
(2R,3S)-5-(6-amino-2-fluoropurin-9-yl)-2-(hydroxymethyl)-2-methyloxolan-3-ol
CID 137434563
2-amino-9-[4-fluoro-5-(hydroxymethyl)-2,3,3,4,5-pentamethyloxolan-2-yl]-1H-purin-6-one
CID 135550556
CID 155596833
CID 155596833
(1R,2S,3R,5R)-3-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)-1-methylcyclopentane-1,2-diol
CID 25113695
(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-(1-fluoroethyl)-2-(hydroxymethyl)oxolan-3-ol
CID 169213006
2-(6-amino-2-(18F)fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 154716223
(2R,3R,4R,5S)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 46936980
[(1R,2R,4R,5R)-4-(6-amino-2-fluoropurin-9-yl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol
CID 102084711
(2R,3R,4S,5R)-2-(6-amino-2-(18F)fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 11150286

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)-2,3,4,5-tetramethyloxolane-3,4-diol?
The IUPAC name of (2R,3S,4R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)-2,3,4,5-tetramethyloxolane-3,4-diol (CID 42553034) is (2R,3S,4R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)-2,3,4,5-tetramethyloxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)-2,3,4,5-tetramethyloxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)-2,3,4,5-tetramethyloxolane-3,4-diol is C[C@]1(O)[C@@](C)(O)[C@@](C)(CO)O[C@@]1(C)n1cnc2c(N)nc(F)nc21.
What is the InChIKey of (2R,3S,4R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)-2,3,4,5-tetramethyloxolane-3,4-diol?
The InChIKey is AWHYHMJLISBZQX-ZOBORPQBSA-N. The full InChI is InChI=1S/C14H20FN5O4/c1-11(5-21)12(2,22)13(3,23)14(4,24-11)20-6-17-7-8(16)18-10(15)19-9(7)20/h6,21-23H,5H2,1-4H3,(H2,16,18,19)/t11-,12+,13+,14-/m1/s1.
What are the key properties of (2R,3S,4R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)-2,3,4,5-tetramethyloxolane-3,4-diol?
(2R,3S,4R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)-2,3,4,5-tetramethyloxolane-3,4-diol has a molecular weight of 341.34 g/mol, XLogP of -0.50, 2 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)-2,3,4,5-tetramethyloxolane-3,4-diol is sourced from PubChem (CID 42553034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).