[(2R,5R)-5-(6-amino-2-fluoropurin-9-yl)-3-fluorooxolan-2-yl]methanol

C10H11F2N5O2 — CID 57318996

IUPAC[(2R,5R)-5-(6-amino-2-fluoropurin-9-yl)-3-fluorooxolan-2-yl]methanol
SMILESNc1nc(F)nc2c1ncn2[C@H]1CC(F)[C@@H](CO)O1
InChIInChI=1S/C10H11F2N5O2/c11-4-1-6(19-5(4)2-18)17-3-14-7-8(13)15-10(12)16-9(7)17/h3-6,18H,1-2H2,(H2,13,15,16)/t4?,5-,6-/m1/s1
InChIKeyPNXCTDFSSXPCLQ-YSLANXFLSA-N
MW271.23 g/mol
LogP0.17
Rot. Bonds2

About [(2R,5R)-5-(6-amino-2-fluoropurin-9-yl)-3-fluorooxolan-2-yl]methanol

[(2R,5R)-5-(6-amino-2-fluoropurin-9-yl)-3-fluorooxolan-2-yl]methanol (PubChem CID 57318996) has the molecular formula C10H11F2N5O2 and a molecular weight of 271.23 g/mol. Its IUPAC name is [(2R,5R)-5-(6-amino-2-fluoropurin-9-yl)-3-fluorooxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,5R)-5-(6-amino-2-fluoropurin-9-yl)-3-fluorooxolan-2-yl]methanol
PubChem CID57318996
Molecular FormulaC10H11F2N5O2
Molecular Weight271.23 g/mol
Exact Mass271.09
IUPAC Name[(2R,5R)-5-(6-amino-2-fluoropurin-9-yl)-3-fluorooxolan-2-yl]methanol
SMILESNc1nc(F)nc2c1ncn2[C@H]1CC(F)[C@@H](CO)O1
InChIInChI=1S/C10H11F2N5O2/c11-4-1-6(19-5(4)2-18)17-3-14-7-8(13)15-10(12)16-9(7)17/h3-6,18H,1-2H2,(H2,13,15,16)/t4?,5-,6-/m1/s1
InChIKeyPNXCTDFSSXPCLQ-YSLANXFLSA-N
XLogP0.17
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[(2S)-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol
CID 153392880
(2R,3S)-5-(6-amino-2-fluoropurin-9-yl)-2-(hydroxymethyl)-2-methyloxolan-3-ol
CID 137434563
5-(6-amino-2-hydrazinylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154718024
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
(3S)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 171699513
acetylene;[5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol
CID 145281051
[(2R,5S)-5-(6-amino-2-fluoropurin-9-yl)-2,5-dihydrofuran-2-yl]methanol
CID 15172904
[(2S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2,5-dihydrofuran-2-yl]methanol
CID 15172905
[(2R,3S,5R)-5-[2-amino-6-(propylamino)purin-9-yl]-3-fluorooxolan-2-yl]methanol
CID 67703963

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-5-(6-amino-2-fluoropurin-9-yl)-3-fluorooxolan-2-yl]methanol?
The IUPAC name of [(2R,5R)-5-(6-amino-2-fluoropurin-9-yl)-3-fluorooxolan-2-yl]methanol (CID 57318996) is [(2R,5R)-5-(6-amino-2-fluoropurin-9-yl)-3-fluorooxolan-2-yl]methanol.
What is the SMILES notation for [(2R,5R)-5-(6-amino-2-fluoropurin-9-yl)-3-fluorooxolan-2-yl]methanol?
The canonical SMILES for [(2R,5R)-5-(6-amino-2-fluoropurin-9-yl)-3-fluorooxolan-2-yl]methanol is Nc1nc(F)nc2c1ncn2[C@H]1CC(F)[C@@H](CO)O1.
What is the InChIKey of [(2R,5R)-5-(6-amino-2-fluoropurin-9-yl)-3-fluorooxolan-2-yl]methanol?
The InChIKey is PNXCTDFSSXPCLQ-YSLANXFLSA-N. The full InChI is InChI=1S/C10H11F2N5O2/c11-4-1-6(19-5(4)2-18)17-3-14-7-8(13)15-10(12)16-9(7)17/h3-6,18H,1-2H2,(H2,13,15,16)/t4?,5-,6-/m1/s1.
What are the key properties of [(2R,5R)-5-(6-amino-2-fluoropurin-9-yl)-3-fluorooxolan-2-yl]methanol?
[(2R,5R)-5-(6-amino-2-fluoropurin-9-yl)-3-fluorooxolan-2-yl]methanol has a molecular weight of 271.23 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-5-(6-amino-2-fluoropurin-9-yl)-3-fluorooxolan-2-yl]methanol is sourced from PubChem (CID 57318996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).