(5R)-2,3,4-trimethoxy-6-(methoxymethyl)-5-{[(2S)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy}oxane

• ChemBase ID: 303270
• Molecular Formular: C20H38O11
• Molecular Mass: 454.50912
• Monoisotopic Mass: 454.24141204
• SMILES: COCC1[C@H](C(C(C(O1)OC)OC)OC)O[C@H]1C(C(C(C(O1)COC)OC)OC)OC
• Canonical SMILES: COCC1OC(OC)C(C([C@@H]1O[C@@H]1OC(COC)C(C(C1OC)OC)OC)OC)OC
• InChI: InChI=1S/C20H38O11/c1-21-9-11-13(23-3)15(24-4)18(27-7)20(30-11)31-14-12(10-22-2)29-19(28-8)17(26-6)16(14)25-5/h11-20H,9-10H2,1-8H3/t11?,12?,13?,14-,15?,16?,17?,18?,19?,20+/m1/s1
• InChIKey: YLGXILFCIXHCMC-JHGZEJCSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5R)-2,3,4-trimethoxy-6-(methoxymethyl)-5-{[(2S)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy}oxane
• IUPAC Traditional name: (5R)-2,3,4-trimethoxy-6-(methoxymethyl)-5-{[(2S)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy}oxane
• Synonyms: Methyl cellulose, viscosity 4000 cPs; Methyl cellulose, viscosity 1600 cPs; Methyl cellulose, viscosity 8000 cPs; Methyl cellulose, viscosity 400 cPs; 甲基纤维素, 黏度 4000 cPs; 甲基纤维素, 黏度 1600 cPs; 甲基纤维素, 黏度 8000 cPs; 甲基纤维素, 黏度 400 cPs

Database IDs

• CAS Number: 9004-67-5
• MDL Number: MFCD00081763
• Merck Index: 146040

CALCULATED PROPERTIES

• H Acceptors: 11
• H Donor: 0
• LogD (pH = 5.5): 0.44163716
• LogD (pH = 7.4): 0.44163716
• Log P: 0.44163716
• Molar Refractivity: 106.3463 cm^3
• Polarizability: 43.970863 Å^3
• Polar Surface Area: 101.53 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Powder

Safety Information

• TSCA Listed: 是