2-(2-fluoroimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol

C8H11FN2O4 — CID 547775

IUPAC2-(2-fluoroimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESOCC1OC(n2ccnc2F)C(O)C1O
InChIInChI=1S/C8H11FN2O4/c9-8-10-1-2-11(8)7-6(14)5(13)4(3-12)15-7/h1-2,4-7,12-14H,3H2
InChIKeyGXHKFQCTSABFQP-UHFFFAOYSA-N
MW218.18 g/mol
LogP-1.37
Rot. Bonds2

About 2-(2-fluoroimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol

2-(2-fluoroimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 547775) has the molecular formula C8H11FN2O4 and a molecular weight of 218.18 g/mol. Its IUPAC name is 2-(2-fluoroimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name2-(2-fluoroimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID547775
Molecular FormulaC8H11FN2O4
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name2-(2-fluoroimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESOCC1OC(n2ccnc2F)C(O)C1O
InChIInChI=1S/C8H11FN2O4/c9-8-10-1-2-11(8)7-6(14)5(13)4(3-12)15-7/h1-2,4-7,12-14H,3H2
InChIKeyGXHKFQCTSABFQP-UHFFFAOYSA-N
XLogP-1.37
TPSA87.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-Aminoimidazole ribonucleotide
CID 161500
5-Aminoimidazole Ribonucleoside
CID 448820
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Fluoroazomycin arabinoside
CID 10083297
Iodoazomycin arabinoside
CID 126382
1-(BD-Glucopyranosyl)-2-NO2imidazole
CID 23275164
2-Nitro-1-beta-D-ribofuranosyl-1H-imidazole
CID 87043
1-(beta-D-Arabinofuranosyl)-2-nitroimidazole
CID 11791428
1-alpha-D-arabinofuranosyl-2-nitroimidazole
CID 15591832
(2R,3S,4R)-2-(hydroxymethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol
CID 21116288
1-(5-DEOXY-5-FLUORO-Alpha-D-ARABINOFURANOSYL)-2-NITROIMIDAZOLE REFERENCE STANDARD FOR [18F]FAZA
CID 56671599
Ethenodeoxycytidine
CID 107769

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of 2-(2-fluoroimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol (CID 547775) is 2-(2-fluoroimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for 2-(2-fluoroimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for 2-(2-fluoroimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol is OCC1OC(n2ccnc2F)C(O)C1O.
What is the InChIKey of 2-(2-fluoroimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is GXHKFQCTSABFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O4/c9-8-10-1-2-11(8)7-6(14)5(13)4(3-12)15-7/h1-2,4-7,12-14H,3H2.
What are the key properties of 2-(2-fluoroimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
2-(2-fluoroimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 218.18 g/mol, XLogP of -1.37, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 547775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).