(2S,3S,4R,5R,6S)-3,4,5-tris(benzyloxy)-2-methoxy-6-methyloxane

• ChemBase ID: 174377
• Molecular Formular: C28H32O5
• Molecular Mass: 448.55068
• Monoisotopic Mass: 448.22497412
• SMILES: [C@H]1([C@H](O[C@H]([C@H]([C@@H]1OCc1ccccc1)OCc1ccccc1)C)OC)OCc1ccccc1
• Canonical SMILES: CO[C@H]1O[C@@H](C)[C@H]([C@@H]([C@@H]1OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
• InChI: InChI=1S/C28H32O5/c1-21-25(30-18-22-12-6-3-7-13-22)26(31-19-23-14-8-4-9-15-23)27(28(29-2)33-21)32-20-24-16-10-5-11-17-24/h3-17,21,25-28H,18-20H2,1-2H3/t21-,25+,26+,27-,28-/m0/s1
• InChIKey: QTDLREJYMFIJBR-QUYLDEAFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,3S,4R,5R,6S)-3,4,5-tris(benzyloxy)-2-methoxy-6-methyloxane
• IUPAC Traditional name: (2S,3S,4R,5R,6S)-3,4,5-tris(benzyloxy)-2-methoxy-6-methyloxane
• Synonyms: Methyl 6-Deoxy-2,3,4-tris-O-(phenylmethyl)-β-L-galactopyranoside; Methyl 2,3,4,-Tri-O-benzyl-β-L-fucopyranoside

Database IDs

• CAS Number: 74841-88-6
• PubChem SID: 164230287
• PubChem CID: 7167933

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 5.8602962
• LogD (pH = 7.4): 5.8602962
• Log P: 5.8602962
• Molar Refractivity: 127.2223 cm^3
• Polarizability: 50.657013 Å^3
• Polar Surface Area: 46.15 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichlormethane; Ethyl Acetate
• Apperance: Yellow Oil