(1S,2R,6R,8R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane

• ChemBase ID: 287282
• Molecular Formular: C11H18O5
• Molecular Mass: 230.25762
• Monoisotopic Mass: 230.11542368
• SMILES: CC1(O[C@H]2[C@@H](CO1)O[C@H]1[C@@H]2OC(O1)(C)C)C
• Canonical SMILES: CC1(C)OC[C@@H]2[C@H](O1)[C@H]1OC(O[C@H]1O2)(C)C
• InChI: InChI=1S/C11H18O5/c1-10(2)12-5-6-7(14-10)8-9(13-6)16-11(3,4)15-8/h6-9H,5H2,1-4H3/t6-,7+,8-,9-/m1/s1
• InChIKey: NKZDPBSWYPINNF-BZNPZCIMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,2R,6R,8R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.0^2,^6]dodecane
• IUPAC Traditional name: (1S,2R,6R,8R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.0^2,^6]dodecane
• Synonyms: 1,2:3,5-Di-O-isopropylidene-alpha-D-xylofuranose

Database IDs

• CAS Number: 20881-04-3
• MDL Number: MFCD00063224
• PubChem SID: 180672813
• PubChem CID: 30337

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.1026449
• LogD (pH = 7.4): 1.1026449
• Log P: 1.1026449
• Molar Refractivity: 54.3749 cm^3
• Polarizability: 22.373707 Å^3
• Polar Surface Area: 46.15 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%