2-{[6-(dodecyloxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

• ChemBase ID: 131895
• Molecular Formular: C24H46O11
• Molecular Mass: 510.61544
• Monoisotopic Mass: 510.30401229
• SMILES: CCCCCCCCCCCCOC1C(C(C(C(O1)CO)OC1C(C(C(C(O1)CO)O)O)O)O)O
• Canonical SMILES: CCCCCCCCCCCCOC1OC(CO)C(C(C1O)O)OC1OC(CO)C(C(C1O)O)O
• InChI: InChI=1S/C24H46O11/c1-2-3-4-5-6-7-8-9-10-11-12-32-23-21(31)19(29)22(16(14-26)34-23)35-24-20(30)18(28)17(27)15(13-25)33-24/h15-31H,2-14H2,1H3
• InChIKey: NLEBIOOXCVAHBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[6-(dodecyloxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
• IUPAC Traditional name: dodecyl-α-D-maltoside
• Synonyms: n-Dodecyl α-D-maltoside

Database IDs

• CAS Number: 116183-64-3
• MDL Number: MFCD00133592
• PubChem SID: 24893940; 162226172
• PubChem CID: 3481630

CALCULATED PROPERTIES

• Acid pKa: 11.939976
• H Acceptors: 11
• H Donor: 7
• LogD (pH = 5.5): 0.8201998
• LogD (pH = 7.4): 0.82018745
• Log P: 0.82019997
• Molar Refractivity: 123.7695 cm^3
• Polarizability: 50.784866 Å^3
• Polar Surface Area: 178.53 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: ≥95% (GC)
• Description: non-ionic