(2S,3R,4R,6S)-3-(benzyloxy)-2-methoxy-4-methyl-6-(triphenylmethoxy)oxane

• ChemBase ID: 191420
• Molecular Formular: C33H34O4
• Molecular Mass: 494.62066
• Monoisotopic Mass: 494.24570957
• SMILES: O1[C@@H]([C@H](OCc2ccccc2)[C@@H](C[C@H]1OC(c1ccccc1)(c1ccccc1)c1ccccc1)C)OC
• Canonical SMILES: CO[C@H]1O[C@@H](C[C@H]([C@H]1OCc1ccccc1)C)OC(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C33H34O4/c1-25-23-30(36-32(34-2)31(25)35-24-26-15-7-3-8-16-26)37-33(27-17-9-4-10-18-27,28-19-11-5-12-20-28)29-21-13-6-14-22-29/h3-22,25,30-32H,23-24H2,1-2H3/t25-,30-,31-,32+/m1/s1
• InChIKey: OPEOVGGUTHNBNI-SIJDTOMYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,3R,4R,6S)-3-(benzyloxy)-2-methoxy-4-methyl-6-(triphenylmethoxy)oxane
• IUPAC Traditional name: (2S,3R,4R,6S)-3-(benzyloxy)-2-methoxy-4-methyl-6-(triphenylmethoxy)oxane

Database IDs

• PubChem SID: 164247330
• PubChem CID: 16397658

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 8.118643
• LogD (pH = 7.4): 8.118643
• Log P: 8.118643
• Molar Refractivity: 147.0742 cm^3
• Polarizability: 57.746407 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds