(3S,4S)-4-aminooxolan-3-ol

• ChemBase ID: 309769
• Molecular Formular: C4H9NO2
• Molecular Mass: 103.11976
• Monoisotopic Mass: 103.06332853
• SMILES: [C@H]1([C@H](O)COC1)N
• Canonical SMILES: O[C@@H]1COC[C@@H]1N
• InChI: InChI=1S/C4H9NO2/c5-3-1-7-2-4(3)6/h3-4,6H,1-2,5H2/t3-,4+/m0/s1
• InChIKey: HQVKXDYSIGDGSY-IUYQGCFVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S,4S)-4-aminooxolan-3-ol
• IUPAC Traditional name: (3S,4S)-4-aminooxolan-3-ol
• Synonyms: cis-4-aminotetrahydro-3-furanol

Database IDs

• CAS Number: 214629-29-5
• MDL Number: MFCD19982753

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.345399
• LogD (pH = 7.4): -3.1114664
• Log P: -1.4145272
• Molar Refractivity: 24.626 cm^3
• Polarizability: 10.246324 Å^3
• Polar Surface Area: 55.48 Å^2