(3R,4S,5S,6R)-3,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]oxan-2-ol

• ChemBase ID: 178251
• Molecular Formular: C34H36O6
• Molecular Mass: 540.64604
• Monoisotopic Mass: 540.25118887
• SMILES: [C@H]1([C@@H]([C@@H](C(O[C@H]1COCc1ccccc1)O)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
• Canonical SMILES: OC1O[C@@H](COCc2ccccc2)[C@@H]([C@@H]([C@@H]1OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
• InChI: InChI=1S/C34H36O6/c35-34-33(39-24-29-19-11-4-12-20-29)32(38-23-28-17-9-3-10-18-28)31(37-22-27-15-7-2-8-16-27)30(40-34)25-36-21-26-13-5-1-6-14-26/h1-20,30-35H,21-25H2/t30-,31+,32+,33-,34?/m1/s1
• InChIKey: OGOMAWHSXRDAKZ-BJPULKCASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R,4S,5S,6R)-3,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]oxan-2-ol
• IUPAC Traditional name: (3R,4S,5S,6R)-3,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]oxan-2-ol
• Synonyms: 2,3,4,6-Tetra-O-benzyl-D-galactopyranose; 2,3,4,6-Tetrakis-O-(phenylmethyl)-D-galactose; 2,3,4,6-Tetra-O-benzyl-D-galactose; 2,3,4,6-Tetra-O-benzyl-D-galactopyranose; 2,3,4,6-四-O-苄基-D-吡喃(型)半乳糖

Database IDs

• CAS Number: 53081-25-7
• MDL Number: MFCD00132927
• PubChem SID: 164234161
• PubChem CID: 2734154

CALCULATED PROPERTIES

• Acid pKa: 11.343017
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 6.5378585
• LogD (pH = 7.4): 6.53781
• Log P: 6.5378594
• Molar Refractivity: 153.3786 cm^3
• Polarizability: 60.869534 Å^3
• Polar Surface Area: 66.38 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Acetone; Chloroform; Dichloromethane; Ether; Ethyl Acetate
• Apperance: Crystalline; White Powder
• Melting Point: 62-63°C

Safety Information

• Storage Condition: Hygroscopic, -20°C Freezer, Under Inert Atmosphere
• Storage Warning: Store in freezer
• TSCA Listed: 否

Product Information

• Purity: 98%