(2S,3R,4R)-2-(1-methylimidazol-4-yl)oxolane-3,4-diol

C8H12N2O3 — CID 130927432

IUPAC(2S,3R,4R)-2-(1-methylimidazol-4-yl)oxolane-3,4-diol
SMILESCn1cnc([C@@H]2OC[C@@H](O)[C@H]2O)c1
InChIInChI=1S/C8H12N2O3/c1-10-2-5(9-4-10)8-7(12)6(11)3-13-8/h2,4,6-8,11-12H,3H2,1H3/t6-,7-,8+/m1/s1
InChIKeyCNDBUSUZRHQFKJ-PRJMDXOYSA-N
MW184.19 g/mol
LogP-0.79
Rot. Bonds1

About (2S,3R,4R)-2-(1-methylimidazol-4-yl)oxolane-3,4-diol

(2S,3R,4R)-2-(1-methylimidazol-4-yl)oxolane-3,4-diol (PubChem CID 130927432) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is (2S,3R,4R)-2-(1-methylimidazol-4-yl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4R)-2-(1-methylimidazol-4-yl)oxolane-3,4-diol
PubChem CID130927432
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name(2S,3R,4R)-2-(1-methylimidazol-4-yl)oxolane-3,4-diol
SMILESCn1cnc([C@@H]2OC[C@@H](O)[C@H]2O)c1
InChIInChI=1S/C8H12N2O3/c1-10-2-5(9-4-10)8-7(12)6(11)3-13-8/h2,4,6-8,11-12H,3H2,1H3/t6-,7-,8+/m1/s1
InChIKeyCNDBUSUZRHQFKJ-PRJMDXOYSA-N
XLogP-0.79
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-2-(1-methylimidazol-4-yl)oxolane-3,4-diol?
The IUPAC name of (2S,3R,4R)-2-(1-methylimidazol-4-yl)oxolane-3,4-diol (CID 130927432) is (2S,3R,4R)-2-(1-methylimidazol-4-yl)oxolane-3,4-diol.
What is the SMILES notation for (2S,3R,4R)-2-(1-methylimidazol-4-yl)oxolane-3,4-diol?
The canonical SMILES for (2S,3R,4R)-2-(1-methylimidazol-4-yl)oxolane-3,4-diol is Cn1cnc([C@@H]2OC[C@@H](O)[C@H]2O)c1.
What is the InChIKey of (2S,3R,4R)-2-(1-methylimidazol-4-yl)oxolane-3,4-diol?
The InChIKey is CNDBUSUZRHQFKJ-PRJMDXOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-10-2-5(9-4-10)8-7(12)6(11)3-13-8/h2,4,6-8,11-12H,3H2,1H3/t6-,7-,8+/m1/s1.
What are the key properties of (2S,3R,4R)-2-(1-methylimidazol-4-yl)oxolane-3,4-diol?
(2S,3R,4R)-2-(1-methylimidazol-4-yl)oxolane-3,4-diol has a molecular weight of 184.19 g/mol, XLogP of -0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-2-(1-methylimidazol-4-yl)oxolane-3,4-diol is sourced from PubChem (CID 130927432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).