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

• ChemBase ID: 167762
• Molecular Formular: C25H48O5
• Molecular Mass: 428.64562
• Monoisotopic Mass: 428.35017464
• SMILES: C1OC(O[C@H]1[C@H]([C@@H]1OC(O[C@@H]1CCCCCCCCCCCCCC)(C)C)O)(C)C
• Canonical SMILES: CCCCCCCCCCCCCC[C@H]1OC(O[C@H]1[C@@H]([C@H]1COC(O1)(C)C)O)(C)C
• InChI: InChI=1S/C25H48O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(30-25(4,5)28-20)22(26)21-19-27-24(2,3)29-21/h20-23,26H,6-19H2,1-5H3/t20-,21-,22-,23-/m1/s1
• InChIKey: LGWUPCHVFJGQAF-SSGKUCQKSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 570414-07-2
• PubChem SID: 162261895
• PubChem CID: 11102035

CALCULATED PROPERTIES

• Log P: 6.579087
• Molar Refractivity: 121.0099 cm^3
• Polarizability: 48.703938 Å^3
• Polar Surface Area: 57.15 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false
• Acid pKa: 13.049533
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 6.579087
• LogD (pH = 7.4): 6.579086

PROPERTIES

Physical Property

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