(2R,4S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethyl-4-fluorooxolan-3-ol

C11H13F2N5O2 — CID 58192994

IUPAC(2R,4S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethyl-4-fluorooxolan-3-ol
SMILESCC[C@H]1O[C@@H](n2cnc3c(N)nc(F)nc32)[C@@H](F)C1O
InChIInChI=1S/C11H13F2N5O2/c1-2-4-7(19)5(12)10(20-4)18-3-15-6-8(14)16-11(13)17-9(6)18/h3-5,7,10,19H,2H2,1H3,(H2,14,16,17)/t4-,5+,7?,10-/m1/s1
InChIKeyHNUHRPVEXHFRGE-WROBTOGHSA-N
MW285.25 g/mol
LogP0.55
Rot. Bonds2

About (2R,4S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethyl-4-fluorooxolan-3-ol

(2R,4S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethyl-4-fluorooxolan-3-ol (PubChem CID 58192994) has the molecular formula C11H13F2N5O2 and a molecular weight of 285.25 g/mol. Its IUPAC name is (2R,4S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethyl-4-fluorooxolan-3-ol.

Molecular Properties

Compound Name(2R,4S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethyl-4-fluorooxolan-3-ol
PubChem CID58192994
Molecular FormulaC11H13F2N5O2
Molecular Weight285.25 g/mol
Exact Mass285.10
IUPAC Name(2R,4S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethyl-4-fluorooxolan-3-ol
SMILESCC[C@H]1O[C@@H](n2cnc3c(N)nc(F)nc32)[C@@H](F)C1O
InChIInChI=1S/C11H13F2N5O2/c1-2-4-7(19)5(12)10(20-4)18-3-15-6-8(14)16-11(13)17-9(6)18/h3-5,7,10,19H,2H2,1H3,(H2,14,16,17)/t4-,5+,7?,10-/m1/s1
InChIKeyHNUHRPVEXHFRGE-WROBTOGHSA-N
XLogP0.55
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-fluorooxolan-3-ol
CID 59289290
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
(2R,3R,4S,5R)-2-(6-amino-2-(18F)fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 11150286
(3S)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 171699513
(2R,5S)-2-(6-amino-2-fluoropurin-9-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol
CID 69413284
(3R,4S,5R)-2-(2,6-diaminopurin-9-yl)-5-ethyloxolane-3,4-diol
CID 134240596
(2R,4S,5R)-5-(6-amino-2-methylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 59503907
(2R,3S,4S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 58233823
(2R,3R,4S,5R)-5-(6-amino-2-methylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 14853623
(2R,3R,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;hydrate
CID 163209763
(2R,3R,4S,5R)-5-[6-(dimethylamino)-2-fluoropurin-9-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 67910456

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethyl-4-fluorooxolan-3-ol?
The IUPAC name of (2R,4S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethyl-4-fluorooxolan-3-ol (CID 58192994) is (2R,4S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethyl-4-fluorooxolan-3-ol.
What is the SMILES notation for (2R,4S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethyl-4-fluorooxolan-3-ol?
The canonical SMILES for (2R,4S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethyl-4-fluorooxolan-3-ol is CC[C@H]1O[C@@H](n2cnc3c(N)nc(F)nc32)[C@@H](F)C1O.
What is the InChIKey of (2R,4S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethyl-4-fluorooxolan-3-ol?
The InChIKey is HNUHRPVEXHFRGE-WROBTOGHSA-N. The full InChI is InChI=1S/C11H13F2N5O2/c1-2-4-7(19)5(12)10(20-4)18-3-15-6-8(14)16-11(13)17-9(6)18/h3-5,7,10,19H,2H2,1H3,(H2,14,16,17)/t4-,5+,7?,10-/m1/s1.
What are the key properties of (2R,4S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethyl-4-fluorooxolan-3-ol?
(2R,4S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethyl-4-fluorooxolan-3-ol has a molecular weight of 285.25 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethyl-4-fluorooxolan-3-ol is sourced from PubChem (CID 58192994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).