(2R,3S)-5-(3-aminophenoxy)-2-(hydroxymethyl)-2,3-dihydrofuran-3,4-diol

C11H13NO5 — CID 67004415

IUPAC(2R,3S)-5-(3-aminophenoxy)-2-(hydroxymethyl)-2,3-dihydrofuran-3,4-diol
SMILESNc1cccc(OC2=C(O)[C@@H](O)[C@@H](CO)O2)c1
InChIInChI=1S/C11H13NO5/c12-6-2-1-3-7(4-6)16-11-10(15)9(14)8(5-13)17-11/h1-4,8-9,13-15H,5,12H2/t8-,9+/m1/s1
InChIKeyHFFDIPDTLPNISC-BDAKNGLRSA-N
MW239.23 g/mol
LogP0.13
Rot. Bonds3

About (2R,3S)-5-(3-aminophenoxy)-2-(hydroxymethyl)-2,3-dihydrofuran-3,4-diol

(2R,3S)-5-(3-aminophenoxy)-2-(hydroxymethyl)-2,3-dihydrofuran-3,4-diol (PubChem CID 67004415) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is (2R,3S)-5-(3-aminophenoxy)-2-(hydroxymethyl)-2,3-dihydrofuran-3,4-diol.

Molecular Properties

Compound Name(2R,3S)-5-(3-aminophenoxy)-2-(hydroxymethyl)-2,3-dihydrofuran-3,4-diol
PubChem CID67004415
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name(2R,3S)-5-(3-aminophenoxy)-2-(hydroxymethyl)-2,3-dihydrofuran-3,4-diol
SMILESNc1cccc(OC2=C(O)[C@@H](O)[C@@H](CO)O2)c1
InChIInChI=1S/C11H13NO5/c12-6-2-1-3-7(4-6)16-11-10(15)9(14)8(5-13)17-11/h1-4,8-9,13-15H,5,12H2/t8-,9+/m1/s1
InChIKeyHFFDIPDTLPNISC-BDAKNGLRSA-N
XLogP0.13
TPSA105.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (2R,3S)-5-(3-aminophenoxy)-2-(hydroxymethyl)-2,3-dihydrofuran-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-5-(3-aminophenoxy)-2-(hydroxymethyl)-2,3-dihydrofuran-3,4-diol?
The IUPAC name of (2R,3S)-5-(3-aminophenoxy)-2-(hydroxymethyl)-2,3-dihydrofuran-3,4-diol (CID 67004415) is (2R,3S)-5-(3-aminophenoxy)-2-(hydroxymethyl)-2,3-dihydrofuran-3,4-diol.
What is the SMILES notation for (2R,3S)-5-(3-aminophenoxy)-2-(hydroxymethyl)-2,3-dihydrofuran-3,4-diol?
The canonical SMILES for (2R,3S)-5-(3-aminophenoxy)-2-(hydroxymethyl)-2,3-dihydrofuran-3,4-diol is Nc1cccc(OC2=C(O)[C@@H](O)[C@@H](CO)O2)c1.
What is the InChIKey of (2R,3S)-5-(3-aminophenoxy)-2-(hydroxymethyl)-2,3-dihydrofuran-3,4-diol?
The InChIKey is HFFDIPDTLPNISC-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H13NO5/c12-6-2-1-3-7(4-6)16-11-10(15)9(14)8(5-13)17-11/h1-4,8-9,13-15H,5,12H2/t8-,9+/m1/s1.
What are the key properties of (2R,3S)-5-(3-aminophenoxy)-2-(hydroxymethyl)-2,3-dihydrofuran-3,4-diol?
(2R,3S)-5-(3-aminophenoxy)-2-(hydroxymethyl)-2,3-dihydrofuran-3,4-diol has a molecular weight of 239.23 g/mol, XLogP of 0.13, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-5-(3-aminophenoxy)-2-(hydroxymethyl)-2,3-dihydrofuran-3,4-diol is sourced from PubChem (CID 67004415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).