(2R,3R,4S,5S,6R)-2-(hexyloxy)-6-(hydroxymethyl)oxane-3,4,5-triol

• ChemBase ID: 105539
• Molecular Formular: C12H24O6
• Molecular Mass: 264.31536
• Monoisotopic Mass: 264.15728849
• SMILES: O(CCCCCC)[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO
• Canonical SMILES: CCCCCCO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
• InChI: InChI=1S/C12H24O6/c1-2-3-4-5-6-17-12-11(16)10(15)9(14)8(7-13)18-12/h8-16H,2-7H2,1H3/t8-,9-,10+,11-,12-/m1/s1
• InChIKey: JVAZJLFFSJARQM-RMPHRYRLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,3R,4S,5S,6R)-2-(hexyloxy)-6-(hydroxymethyl)oxane-3,4,5-triol
• IUPAC Traditional name: (2R,3R,4S,5S,6R)-2-(hexyloxy)-6-(hydroxymethyl)oxane-3,4,5-triol
• Synonyms: Hexyl β-D-glucopyranoside; Detergent Screening Solution 01/Fluka kit no 66317; Hexyl-β-D-glucopyranoside solution; Hexyl-β-D-glucoside 200 mM solution; HEXYL-β-D-GLUCOPYRANOSIDE

Database IDs

• CAS Number: 59080-45-4
• MDL Number: MFCD00063305
• Beilstein Number: 83239
• PubChem SID: 162092813; 24877841; 24873027
• PubChem CID: 181215

CALCULATED PROPERTIES

• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• Acid pKa: 12.210987
• H Acceptors: 6
• H Donor: 4
• LogD (pH = 5.5): -0.07637645
• LogD (pH = 7.4): -0.07638308
• Log P: -0.07637637
• Molar Refractivity: 63.7502 cm^3
• Polarizability: 26.084854 Å^3
• Polar Surface Area: 99.38 Å^2

PROPERTIES

Physical Property

• Optical Rotation: [α]20/D -33±2°, c = 5% in H2O
• Critical Micelle Concentration: 250

Safety Information

• Storage Condition: 0°C
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves; Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.0% (TLC); 95%
• Description: non-ionic
• Empirical Formula (Hill Notation): C12H24O6

DETAILS

MP Biomedicals - 02191173

Purity: 95% min.
A mild nonionic detergent.

Sigma Aldrich - 53180

Other Notes
Non-ionic detergent used for solubilizing membrane proteins1