octahydroindolizine-1,2,8-triol

• ChemBase ID: 104048
• Molecular Formular: C8H15NO3
• Molecular Mass: 173.2096
• Monoisotopic Mass: 173.10519335
• SMILES: OC1CCCN2CC(O)C(O)C12
• Canonical SMILES: OC1CN2C(C1O)C(O)CCC2
• InChI: InChI=1S/C8H15NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h5-8,10-12H,1-4H2
• InChIKey: FXUAIOOAOAVCGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octahydroindolizine-1,2,8-triol
• IUPAC Traditional name: swainsonine
• Synonyms: SWAINSONINE

Database IDs

• CAS Number: 72741-87-8
• PubChem SID: 162091550
• PubChem CID: 5363

CALCULATED PROPERTIES

• Acid pKa: 13.284674
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -4.78174
• LogD (pH = 7.4): -3.4669168
• Log P: -1.4067957
• Molar Refractivity: 43.117798 cm^3
• Polarizability: 17.444298 Å^3
• Polar Surface Area: 63.93 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: 0°C
• RTECS: NM2408666

Product Information

• Purity: ≥98%

DETAILS

MP Biomedicals - 02154250

Purity: ≥98% α-Mannosidase inhibitor C8H15NO3 MW 173.1