(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl][(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]methyl methanesulfonate

• ChemBase ID: 167763
• Molecular Formular: C26H50O7S
• Molecular Mass: 506.736
• Monoisotopic Mass: 506.32772494
• SMILES: C1OC(O[C@H]1[C@H]([C@@H]1OC(O[C@@H]1CCCCCCCCCCCCCC)(C)C)OS(=O)(=O)C)(C)C
• Canonical SMILES: CCCCCCCCCCCCCC[C@H]1OC(O[C@H]1[C@@H]([C@H]1COC(O1)(C)C)OS(=O)(=O)C)(C)C
• InChI: InChI=1S/C26H50O7S/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23(32-26(4,5)30-21)24(33-34(6,27)28)22-20-29-25(2,3)31-22/h21-24H,7-20H2,1-6H3/t21-,22-,23-,24-/m1/s1
• InChIKey: OZGGUACWWXGPES-MOUTVQLLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl][(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]methyl methanesulfonate
• IUPAC Traditional name: (R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl][(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]methyl methanesulfonate
• Synonyms: (2R,3R,4R,5R)-3-O-Methanesulfonyl-1,2:4,5-di-O-isopropylidene-3-nonadecanol; (αR,4R,5R)- α-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-5-tetradecyl-1,3-dioxolane-4-methanol Methanesulfonate; (2R,3R,4R,5R)-1,2:4,5-Di-O-isopropylidene-3-nonadecanol Methanesulfonate

Database IDs

• CAS Number: 570414-09-4
• PubChem SID: 162261896
• PubChem CID: 11092393

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 6.515251
• LogD (pH = 7.4): 6.515251
• Log P: 6.515251
• Molar Refractivity: 133.7624 cm^3
• Polarizability: 54.821568 Å^3
• Polar Surface Area: 80.29 Å^2
• Rotatable Bonds: 17
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ethyl Acetate; Methanol
• Apperance: Colorless Oil