(2R,3R,4R,5R)-2-anilinooxyoxane-3,4,5-triol

C11H15NO5 — CID 99641703

IUPAC(2R,3R,4R,5R)-2-anilinooxyoxane-3,4,5-triol
SMILESO[C@H]1[C@@H](ONc2ccccc2)OC[C@@H](O)[C@H]1O
InChIInChI=1S/C11H15NO5/c13-8-6-16-11(10(15)9(8)14)17-12-7-4-2-1-3-5-7/h1-5,8-15H,6H2/t8-,9-,10-,11-/m1/s1
InChIKeyUOEYCZRCGRRVDF-GWOFURMSSA-N
MW241.24 g/mol
LogP-0.53
Rot. Bonds3

About (2R,3R,4R,5R)-2-anilinooxyoxane-3,4,5-triol

(2R,3R,4R,5R)-2-anilinooxyoxane-3,4,5-triol (PubChem CID 99641703) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2-anilinooxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2-anilinooxyoxane-3,4,5-triol
PubChem CID99641703
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name(2R,3R,4R,5R)-2-anilinooxyoxane-3,4,5-triol
SMILESO[C@H]1[C@@H](ONc2ccccc2)OC[C@@H](O)[C@H]1O
InChIInChI=1S/C11H15NO5/c13-8-6-16-11(10(15)9(8)14)17-12-7-4-2-1-3-5-7/h1-5,8-15H,6H2/t8-,9-,10-,11-/m1/s1
InChIKeyUOEYCZRCGRRVDF-GWOFURMSSA-N
XLogP-0.53
TPSA91.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 5-0.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2-anilinooxyoxane-3,4,5-triol?
The IUPAC name of (2R,3R,4R,5R)-2-anilinooxyoxane-3,4,5-triol (CID 99641703) is (2R,3R,4R,5R)-2-anilinooxyoxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4R,5R)-2-anilinooxyoxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4R,5R)-2-anilinooxyoxane-3,4,5-triol is O[C@H]1[C@@H](ONc2ccccc2)OC[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R,5R)-2-anilinooxyoxane-3,4,5-triol?
The InChIKey is UOEYCZRCGRRVDF-GWOFURMSSA-N. The full InChI is InChI=1S/C11H15NO5/c13-8-6-16-11(10(15)9(8)14)17-12-7-4-2-1-3-5-7/h1-5,8-15H,6H2/t8-,9-,10-,11-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-2-anilinooxyoxane-3,4,5-triol?
(2R,3R,4R,5R)-2-anilinooxyoxane-3,4,5-triol has a molecular weight of 241.24 g/mol, XLogP of -0.53, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2-anilinooxyoxane-3,4,5-triol is sourced from PubChem (CID 99641703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).