(2S,3R,4R,5S)-2-(4-aminophenoxy)oxane-3,4,5-triol

C11H15NO5 — CID 688371

IUPAC(2S,3R,4R,5S)-2-(4-aminophenoxy)oxane-3,4,5-triol
SMILESNc1ccc(O[C@@H]2OC[C@H](O)[C@@H](O)[C@H]2O)cc1
InChIInChI=1S/C11H15NO5/c12-6-1-3-7(4-2-6)17-11-10(15)9(14)8(13)5-16-11/h1-4,8-11,13-15H,5,12H2/t8-,9+,10+,11-/m0/s1
InChIKeyQZFWYFWIDORFSN-ZDCRXTMVSA-N
MW241.24 g/mol
LogP-0.91
Rot. Bonds2

About (2S,3R,4R,5S)-2-(4-aminophenoxy)oxane-3,4,5-triol

(2S,3R,4R,5S)-2-(4-aminophenoxy)oxane-3,4,5-triol (PubChem CID 688371) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is (2S,3R,4R,5S)-2-(4-aminophenoxy)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4R,5S)-2-(4-aminophenoxy)oxane-3,4,5-triol
PubChem CID688371
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name(2S,3R,4R,5S)-2-(4-aminophenoxy)oxane-3,4,5-triol
SMILESNc1ccc(O[C@@H]2OC[C@H](O)[C@@H](O)[C@H]2O)cc1
InChIInChI=1S/C11H15NO5/c12-6-1-3-7(4-2-6)17-11-10(15)9(14)8(13)5-16-11/h1-4,8-11,13-15H,5,12H2/t8-,9+,10+,11-/m0/s1
InChIKeyQZFWYFWIDORFSN-ZDCRXTMVSA-N
XLogP-0.91
TPSA105.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 5-0.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S)-2-(4-aminophenoxy)oxane-3,4,5-triol?
The IUPAC name of (2S,3R,4R,5S)-2-(4-aminophenoxy)oxane-3,4,5-triol (CID 688371) is (2S,3R,4R,5S)-2-(4-aminophenoxy)oxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4R,5S)-2-(4-aminophenoxy)oxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4R,5S)-2-(4-aminophenoxy)oxane-3,4,5-triol is Nc1ccc(O[C@@H]2OC[C@H](O)[C@@H](O)[C@H]2O)cc1.
What is the InChIKey of (2S,3R,4R,5S)-2-(4-aminophenoxy)oxane-3,4,5-triol?
The InChIKey is QZFWYFWIDORFSN-ZDCRXTMVSA-N. The full InChI is InChI=1S/C11H15NO5/c12-6-1-3-7(4-2-6)17-11-10(15)9(14)8(13)5-16-11/h1-4,8-11,13-15H,5,12H2/t8-,9+,10+,11-/m0/s1.
What are the key properties of (2S,3R,4R,5S)-2-(4-aminophenoxy)oxane-3,4,5-triol?
(2S,3R,4R,5S)-2-(4-aminophenoxy)oxane-3,4,5-triol has a molecular weight of 241.24 g/mol, XLogP of -0.91, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S)-2-(4-aminophenoxy)oxane-3,4,5-triol is sourced from PubChem (CID 688371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).