(2R,3S,4R)-2-(1H-imidazol-5-yl)oxolane-3,4-diol

C7H10N2O3 — CID 15868501

IUPAC(2R,3S,4R)-2-(1H-imidazol-5-yl)oxolane-3,4-diol
SMILESO[C@H]1[C@H](O)CO[C@@H]1c1cnc[nH]1
InChIInChI=1S/C7H10N2O3/c10-5-2-12-7(6(5)11)4-1-8-3-9-4/h1,3,5-7,10-11H,2H2,(H,8,9)/t5-,6+,7-/m1/s1
InChIKeyWNWOCVIKNQCVTO-DSYKOEDSSA-N
MW170.17 g/mol
LogP-0.80
Rot. Bonds1

About (2R,3S,4R)-2-(1H-imidazol-5-yl)oxolane-3,4-diol

(2R,3S,4R)-2-(1H-imidazol-5-yl)oxolane-3,4-diol (PubChem CID 15868501) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is (2R,3S,4R)-2-(1H-imidazol-5-yl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R)-2-(1H-imidazol-5-yl)oxolane-3,4-diol
PubChem CID15868501
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name(2R,3S,4R)-2-(1H-imidazol-5-yl)oxolane-3,4-diol
SMILESO[C@H]1[C@H](O)CO[C@@H]1c1cnc[nH]1
InChIInChI=1S/C7H10N2O3/c10-5-2-12-7(6(5)11)4-1-8-3-9-4/h1,3,5-7,10-11H,2H2,(H,8,9)/t5-,6+,7-/m1/s1
InChIKeyWNWOCVIKNQCVTO-DSYKOEDSSA-N
XLogP-0.80
TPSA78.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1,3-dihydroimidazole-2-thione
CID 134613200
5-(3,4-dihydroxyoxolan-2-yl)-1H-pyrrole-3-carbaldehyde
CID 14602555
4-(1H-imidazol-5-yl)-1,3-oxazolidin-2-one
CID 57157791
[(4S,5R)-5-(1H-imidazol-5-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 10750465
(3S,4S,5S)-2-pyrimidin-2-yloxane-3,4,5-triol
CID 67687388
(2S,3R,4R,5R)-2-pyrimidin-2-yloxane-3,4,5-triol
CID 67687389
5-(2-methylcyclopropyl)-1H-imidazole
CID 72588094
1-[5-[(2S,3R,4R)-3,4-dihydroxyoxolan-2-yl]-2-methyl-1H-pyrrol-3-yl]ethanone
CID 10867963
2-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]-1,7-dihydropurin-6-one
CID 137224685
5-(2,5-dihydro-1H-pyrrol-2-yl)-1H-imidazole
CID 91362037
2-(1H-imidazol-5-yl)cyclopropane-1-carbaldehyde
CID 19593166
5-pyrrolidin-3-yl-1H-imidazole;dihydrochloride
CID 75485523

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-2-(1H-imidazol-5-yl)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4R)-2-(1H-imidazol-5-yl)oxolane-3,4-diol (CID 15868501) is (2R,3S,4R)-2-(1H-imidazol-5-yl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R)-2-(1H-imidazol-5-yl)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R)-2-(1H-imidazol-5-yl)oxolane-3,4-diol is O[C@H]1[C@H](O)CO[C@@H]1c1cnc[nH]1.
What is the InChIKey of (2R,3S,4R)-2-(1H-imidazol-5-yl)oxolane-3,4-diol?
The InChIKey is WNWOCVIKNQCVTO-DSYKOEDSSA-N. The full InChI is InChI=1S/C7H10N2O3/c10-5-2-12-7(6(5)11)4-1-8-3-9-4/h1,3,5-7,10-11H,2H2,(H,8,9)/t5-,6+,7-/m1/s1.
What are the key properties of (2R,3S,4R)-2-(1H-imidazol-5-yl)oxolane-3,4-diol?
(2R,3S,4R)-2-(1H-imidazol-5-yl)oxolane-3,4-diol has a molecular weight of 170.17 g/mol, XLogP of -0.80, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-2-(1H-imidazol-5-yl)oxolane-3,4-diol is sourced from PubChem (CID 15868501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).