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

• ChemBase ID: 164665
• Molecular Formular: C34H35ClO5
• Molecular Mass: 559.0917
• Monoisotopic Mass: 558.2173019
• SMILES: [C@@H]1([C@@H]([C@@H]([C@H](O[C@H]1COCc1ccccc1)Cl)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
• Canonical SMILES: Cl[C@H]1O[C@@H](COCc2ccccc2)[C@H]([C@@H]([C@@H]1OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
• InChI: InChI=1S/C34H35ClO5/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/h1-20,30-34H,21-25H2/t30-,31-,32+,33-,34+/m1/s1
• InChIKey: PCQHHGZMQLZGQM-RUOAZZEASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,3R,4S,5R,6R)-3,4,5-tris(benzyloxy)-2-[(benzyloxy)methyl]-6-chlorooxane
• IUPAC Traditional name: (2R,3R,4S,5R,6R)-3,4,5-tris(benzyloxy)-2-[(benzyloxy)methyl]-6-chlorooxane
• Synonyms: 2,3,4,6-Tetrakis-O-(phenylmethyl)-α-D-glucopyranosyl Chloride; Chloro 2,3,4,6-Tetra-O-benzyl-α-D-glucopyranoside

Database IDs

• CAS Number: 25320-59-6
• PubChem SID: 162258800
• PubChem CID: 10864637

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 7.7316175
• LogD (pH = 7.4): 7.7316175
• Log P: 7.7316175
• Molar Refractivity: 156.9162 cm^3
• Polarizability: 62.071407 Å^3
• Polar Surface Area: 46.15 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Ethyl Acetate; Hexane
• Apperance: Pale Yellow Oil

Safety Information

• Storage Condition: Hygroscopic, -20°C Freezer, Under Inert Atmosphere