(3S,4R)-4-(2-hydroxyanilino)oxolan-3-ol

C10H13NO3 — CID 126846659

IUPAC(3S,4R)-4-(2-hydroxyanilino)oxolan-3-ol
SMILESOc1ccccc1N[C@@H]1COC[C@H]1O
InChIInChI=1S/C10H13NO3/c12-9-4-2-1-3-7(9)11-8-5-14-6-10(8)13/h1-4,8,10-13H,5-6H2/t8-,10-/m1/s1
InChIKeyOEOCGYANBDAODD-PSASIEDQSA-N
MW195.22 g/mol
LogP0.56
Rot. Bonds2

About (3S,4R)-4-(2-hydroxyanilino)oxolan-3-ol

(3S,4R)-4-(2-hydroxyanilino)oxolan-3-ol (PubChem CID 126846659) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (3S,4R)-4-(2-hydroxyanilino)oxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-(2-hydroxyanilino)oxolan-3-ol
PubChem CID126846659
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(3S,4R)-4-(2-hydroxyanilino)oxolan-3-ol
SMILESOc1ccccc1N[C@@H]1COC[C@H]1O
InChIInChI=1S/C10H13NO3/c12-9-4-2-1-3-7(9)11-8-5-14-6-10(8)13/h1-4,8,10-13H,5-6H2/t8-,10-/m1/s1
InChIKeyOEOCGYANBDAODD-PSASIEDQSA-N
XLogP0.56
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(2-hydroxyanilino)oxolan-3-ol?
The IUPAC name of (3S,4R)-4-(2-hydroxyanilino)oxolan-3-ol (CID 126846659) is (3S,4R)-4-(2-hydroxyanilino)oxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-(2-hydroxyanilino)oxolan-3-ol?
The canonical SMILES for (3S,4R)-4-(2-hydroxyanilino)oxolan-3-ol is Oc1ccccc1N[C@@H]1COC[C@H]1O.
What is the InChIKey of (3S,4R)-4-(2-hydroxyanilino)oxolan-3-ol?
The InChIKey is OEOCGYANBDAODD-PSASIEDQSA-N. The full InChI is InChI=1S/C10H13NO3/c12-9-4-2-1-3-7(9)11-8-5-14-6-10(8)13/h1-4,8,10-13H,5-6H2/t8-,10-/m1/s1.
What are the key properties of (3S,4R)-4-(2-hydroxyanilino)oxolan-3-ol?
(3S,4R)-4-(2-hydroxyanilino)oxolan-3-ol has a molecular weight of 195.22 g/mol, XLogP of 0.56, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(2-hydroxyanilino)oxolan-3-ol is sourced from PubChem (CID 126846659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).