2-(hydroxymethyl)-5-(4-nitroanilino)oxolane-3,4-diol

C11H14N2O6 — CID 2848744

IUPAC2-(hydroxymethyl)-5-(4-nitroanilino)oxolane-3,4-diol
SMILESO=[N+]([O-])c1ccc(NC2OC(CO)C(O)C2O)cc1
InChIInChI=1S/C11H14N2O6/c14-5-8-9(15)10(16)11(19-8)12-6-1-3-7(4-2-6)13(17)18/h1-4,8-12,14-16H,5H2
InChIKeyQJZGERHAPGWLSY-UHFFFAOYSA-N
MW270.24 g/mol
LogP-0.55
Rot. Bonds4

About 2-(hydroxymethyl)-5-(4-nitroanilino)oxolane-3,4-diol

2-(hydroxymethyl)-5-(4-nitroanilino)oxolane-3,4-diol (PubChem CID 2848744) has the molecular formula C11H14N2O6 and a molecular weight of 270.24 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5-(4-nitroanilino)oxolane-3,4-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-5-(4-nitroanilino)oxolane-3,4-diol
PubChem CID2848744
Molecular FormulaC11H14N2O6
Molecular Weight270.24 g/mol
Exact Mass270.09
IUPAC Name2-(hydroxymethyl)-5-(4-nitroanilino)oxolane-3,4-diol
SMILESO=[N+]([O-])c1ccc(NC2OC(CO)C(O)C2O)cc1
InChIInChI=1S/C11H14N2O6/c14-5-8-9(15)10(16)11(19-8)12-6-1-3-7(4-2-6)13(17)18/h1-4,8-12,14-16H,5H2
InChIKeyQJZGERHAPGWLSY-UHFFFAOYSA-N
XLogP-0.55
TPSA125.09 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 5-0.55
H-Bond Donors ≤ 54
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 2-(hydroxymethyl)-5-(4-nitroanilino)oxolane-3,4-diol?
The IUPAC name of 2-(hydroxymethyl)-5-(4-nitroanilino)oxolane-3,4-diol (CID 2848744) is 2-(hydroxymethyl)-5-(4-nitroanilino)oxolane-3,4-diol.
What is the SMILES notation for 2-(hydroxymethyl)-5-(4-nitroanilino)oxolane-3,4-diol?
The canonical SMILES for 2-(hydroxymethyl)-5-(4-nitroanilino)oxolane-3,4-diol is O=[N+]([O-])c1ccc(NC2OC(CO)C(O)C2O)cc1.
What is the InChIKey of 2-(hydroxymethyl)-5-(4-nitroanilino)oxolane-3,4-diol?
The InChIKey is QJZGERHAPGWLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O6/c14-5-8-9(15)10(16)11(19-8)12-6-1-3-7(4-2-6)13(17)18/h1-4,8-12,14-16H,5H2.
What are the key properties of 2-(hydroxymethyl)-5-(4-nitroanilino)oxolane-3,4-diol?
2-(hydroxymethyl)-5-(4-nitroanilino)oxolane-3,4-diol has a molecular weight of 270.24 g/mol, XLogP of -0.55, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-5-(4-nitroanilino)oxolane-3,4-diol is sourced from PubChem (CID 2848744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).