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

C8H11N3O6 — CID 21116288

IUPAC(2R,3S,4R)-2-(hydroxymethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol
SMILESO=[N+]([O-])c1nccn1C1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C8H11N3O6/c12-3-4-5(13)6(14)7(17-4)10-2-1-9-8(10)11(15)16/h1-2,4-7,12-14H,3H2/t4-,5-,6-,7?/m1/s1
InChIKeyGEPYEWPQCQPUJN-RKEPMNIXSA-N
MW245.19 g/mol
LogP-1.60
Rot. Bonds3

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

(2R,3S,4R)-2-(hydroxymethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol (PubChem CID 21116288) has the molecular formula C8H11N3O6 and a molecular weight of 245.19 g/mol. Its IUPAC name is (2R,3S,4R)-2-(hydroxymethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R)-2-(hydroxymethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol
PubChem CID21116288
Molecular FormulaC8H11N3O6
Molecular Weight245.19 g/mol
Exact Mass245.06
IUPAC Name(2R,3S,4R)-2-(hydroxymethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol
SMILESO=[N+]([O-])c1nccn1C1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C8H11N3O6/c12-3-4-5(13)6(14)7(17-4)10-2-1-9-8(10)11(15)16/h1-2,4-7,12-14H,3H2/t4-,5-,6-,7?/m1/s1
InChIKeyGEPYEWPQCQPUJN-RKEPMNIXSA-N
XLogP-1.60
TPSA130.88 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.19
LogP ≤ 5-1.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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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Related Compounds

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CID 164486
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Fluoroazomycin arabinoside
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1-(2-OH-3-Etopr)-2-NO2 imidazole
CID 106665
Iodoazomycin arabinoside
CID 126382
[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-nitroimidazol-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
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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

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-2-(hydroxymethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4R)-2-(hydroxymethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol (CID 21116288) is (2R,3S,4R)-2-(hydroxymethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R)-2-(hydroxymethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R)-2-(hydroxymethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol is O=[N+]([O-])c1nccn1C1O[C@H](CO)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,4R)-2-(hydroxymethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol?
The InChIKey is GEPYEWPQCQPUJN-RKEPMNIXSA-N. The full InChI is InChI=1S/C8H11N3O6/c12-3-4-5(13)6(14)7(17-4)10-2-1-9-8(10)11(15)16/h1-2,4-7,12-14H,3H2/t4-,5-,6-,7?/m1/s1.
What are the key properties of (2R,3S,4R)-2-(hydroxymethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol?
(2R,3S,4R)-2-(hydroxymethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol has a molecular weight of 245.19 g/mol, XLogP of -1.60, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-2-(hydroxymethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol is sourced from PubChem (CID 21116288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).