(2S,3S,4S,5S)-2-(fluoromethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol

C8H10FN3O5 — CID 10083297

IUPAC(2S,3S,4S,5S)-2-(fluoromethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol
SMILESO=[N+]([O-])c1nccn1[C@H]1O[C@H](CF)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H10FN3O5/c9-3-4-5(13)6(14)7(17-4)11-2-1-10-8(11)12(15)16/h1-2,4-7,13-14H,3H2/t4-,5-,6+,7+/m1/s1
InChIKeyLPZSRGRDVVGMMX-JWXFUTCRSA-N
MW247.18 g/mol
LogP-0.62
Rot. Bonds3

About (2S,3S,4S,5S)-2-(fluoromethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol

(2S,3S,4S,5S)-2-(fluoromethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol (PubChem CID 10083297) has the molecular formula C8H10FN3O5 and a molecular weight of 247.18 g/mol. Its IUPAC name is (2S,3S,4S,5S)-2-(fluoromethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3S,4S,5S)-2-(fluoromethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol
PubChem CID10083297
Molecular FormulaC8H10FN3O5
Molecular Weight247.18 g/mol
Exact Mass247.06
IUPAC Name(2S,3S,4S,5S)-2-(fluoromethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol
SMILESO=[N+]([O-])c1nccn1[C@H]1O[C@H](CF)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H10FN3O5/c9-3-4-5(13)6(14)7(17-4)11-2-1-10-8(11)12(15)16/h1-2,4-7,13-14H,3H2/t4-,5-,6+,7+/m1/s1
InChIKeyLPZSRGRDVVGMMX-JWXFUTCRSA-N
XLogP-0.62
TPSA110.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.18
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5S)-2-(fluoromethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol?
The IUPAC name of (2S,3S,4S,5S)-2-(fluoromethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol (CID 10083297) is (2S,3S,4S,5S)-2-(fluoromethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol.
What is the SMILES notation for (2S,3S,4S,5S)-2-(fluoromethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol?
The canonical SMILES for (2S,3S,4S,5S)-2-(fluoromethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol is O=[N+]([O-])c1nccn1[C@H]1O[C@H](CF)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4S,5S)-2-(fluoromethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol?
The InChIKey is LPZSRGRDVVGMMX-JWXFUTCRSA-N. The full InChI is InChI=1S/C8H10FN3O5/c9-3-4-5(13)6(14)7(17-4)11-2-1-10-8(11)12(15)16/h1-2,4-7,13-14H,3H2/t4-,5-,6+,7+/m1/s1.
What are the key properties of (2S,3S,4S,5S)-2-(fluoromethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol?
(2S,3S,4S,5S)-2-(fluoromethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol has a molecular weight of 247.18 g/mol, XLogP of -0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5S)-2-(fluoromethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol is sourced from PubChem (CID 10083297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).