2,3,4,6-tetrakis(benzyloxy)-5-hydroxyhexanal

• ChemBase ID: 133475
• Molecular Formular: C34H36O6
• Molecular Mass: 540.64604
• Monoisotopic Mass: 540.25118887
• SMILES: c1ccc(cc1)COCC(C(C(C(C=O)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1)O
• Canonical SMILES: O=CC(C(C(C(COCc1ccccc1)O)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
• InChI: InChI=1S/C34H36O6/c35-21-32(38-23-28-15-7-2-8-16-28)34(40-25-30-19-11-4-12-20-30)33(39-24-29-17-9-3-10-18-29)31(36)26-37-22-27-13-5-1-6-14-27/h1-21,31-34,36H,22-26H2
• InChIKey: OUHUDRYCYOSXDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,4,6-tetrakis(benzyloxy)-5-hydroxyhexanal
• IUPAC Traditional name: 2,3,4,6-tetrakis(benzyloxy)-5-hydroxyhexanal
• Synonyms: 2,3,4,6-Tetra-O-benzyl-D-galactose

Database IDs

• CAS Number: 53081-25-7
• MDL Number: MFCD00132927
• PubChem SID: 24900375; 162227752
• PubChem CID: 4568967

CALCULATED PROPERTIES

• Acid pKa: 12.221344
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 5.9020376
• LogD (pH = 7.4): 5.9020314
• Log P: 5.902038
• Molar Refractivity: 154.8008 cm^3
• Polarizability: 60.97992 Å^3
• Polar Surface Area: 74.22 Å^2
• Rotatable Bonds: 17
• 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: ≥98%