(3S,4S)-4-methoxyoxolan-3-amine

• ChemBase ID: 310151
• Molecular Formular: C5H11NO2
• Molecular Mass: 117.14634
• Monoisotopic Mass: 117.0789786
• SMILES: [C@H]1([C@@H](COC1)OC)N
• Canonical SMILES: CO[C@@H]1COC[C@@H]1N
• InChI: InChI=1S/C5H11NO2/c1-7-5-3-8-2-4(5)6/h4-5H,2-3,6H2,1H3/t4-,5+/m0/s1
• InChIKey: NMZQNYFRBOGYLM-CRCLSJGQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S,4S)-4-methoxyoxolan-3-amine
• IUPAC Traditional name: (3S,4S)-4-methoxyoxolan-3-amine
• Synonyms: rac-(3S,4S)-4-methoxytetrahydro-3-furanamine

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.6772768
• LogD (pH = 7.4): -2.3669717
• Log P: -0.7714007
• Molar Refractivity: 29.3772 cm^3
• Polarizability: 12.143482 Å^3
• Polar Surface Area: 44.48 Å^2