(3R,4S,5S,6R)-6-[(triphenylmethoxy)methyl]oxane-2,3,4,5-tetrol

• ChemBase ID: 179319
• Molecular Formular: C25H26O6
• Molecular Mass: 422.47034
• Monoisotopic Mass: 422.17293855
• SMILES: [C@@H]1([C@@H]([C@@H](C(O[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1)O)O)O)O
• Canonical SMILES: OC1O[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]([C@@H]([C@@H]1O)O)O
• InChI: InChI=1S/C25H26O6/c26-21-20(31-24(29)23(28)22(21)27)16-30-25(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20-24,26-29H,16H2/t20-,21-,22+,23-,24?/m1/s1
• InChIKey: WMNZCEKHTHLIRQ-MLYSRARTSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R,4S,5S,6R)-6-[(triphenylmethoxy)methyl]oxane-2,3,4,5-tetrol
• IUPAC Traditional name: (3R,4S,5S,6R)-6-[(triphenylmethoxy)methyl]oxane-2,3,4,5-tetrol
• Synonyms: 6-O-(Triphenylmethyl)-D-glucose; 6-O-Trityl-D-glucose

Database IDs

• CAS Number: 67919-34-0
• PubChem SID: 164235229
• PubChem CID: 21204220

CALCULATED PROPERTIES

• Acid pKa: 11.298312
• H Acceptors: 6
• H Donor: 4
• LogD (pH = 5.5): 2.8675418
• LogD (pH = 7.4): 2.8674877
• Log P: 2.8675425
• Molar Refractivity: 115.7248 cm^3
• Polarizability: 45.524197 Å^3
• Polar Surface Area: 99.38 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - T887920

Protected glucose.