(3R)-3-aminooxolane-2,5-dione hydrochloride

• ChemBase ID: 288623
• Molecular Formular: C4H6ClNO3
• Molecular Mass: 151.54834
• Monoisotopic Mass: 151.00362074
• SMILES: O=C1[C@H](N)CC(=O)O1.Cl
• Canonical SMILES: O=C1C[C@H](C(=O)O1)N.Cl
• InChI: InChI=1S/C4H5NO3.ClH/c5-2-1-3(6)8-4(2)7;/h2H,1,5H2;1H/t2-;/m1./s1
• InChIKey: ZUOVTYLEICKQDF-HSHFZTNMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R)-3-aminooxolane-2,5-dione hydrochloride
• IUPAC Traditional name: (3R)-3-aminooxolane-2,5-dione hydrochloride
• Synonyms: (R)-3-Aminodihydrofuran-2,5-dione hydrochloride

Database IDs

• CAS Number: 143394-93-8
• PubChem SID: 180674154
• PubChem CID: 46738134

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.0816398
• LogD (pH = 7.4): -1.1327933
• Log P: -1.0863512
• Molar Refractivity: 23.3273 cm^3
• Polarizability: 9.875549 Å^3
• Polar Surface Area: 69.39 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%