(2R,3S,4R)-4-{[tris(propan-2-yl)silyl]oxy}-2-({[tris(propan-2-yl)silyl]oxy}methyl)-3,4-dihydro-2H-pyran-3-ol

• ChemBase ID: 137793
• Molecular Formular: C24H50O4Si2
• Molecular Mass: 458.8224
• Monoisotopic Mass: 458.32476314
• SMILES: CC(C)[Si](C(C)C)(C(C)C)OC[C@@H]1[C@@H]([C@@H](C=CO1)O[Si](C(C)C)(C(C)C)C(C)C)O
• Canonical SMILES: O[C@H]1[C@H](OC=C[C@H]1O[Si](C(C)C)(C(C)C)C(C)C)CO[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C24H50O4Si2/c1-16(2)29(17(3)4,18(5)6)27-15-23-24(25)22(13-14-26-23)28-30(19(7)8,20(9)10)21(11)12/h13-14,16-25H,15H2,1-12H3/t22-,23-,24-/m1/s1
• InChIKey: YDOYFAHLHUEGEN-WXFUMESZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,3S,4R)-4-{[tris(propan-2-yl)silyl]oxy}-2-({[tris(propan-2-yl)silyl]oxy}methyl)-3,4-dihydro-2H-pyran-3-ol
• IUPAC Traditional name: (2R,3S,4R)-4-[(triisopropylsilyl)oxy]-2-{[(triisopropylsilyl)oxy]methyl}-3,4-dihydro-2H-pyran-3-ol
• Synonyms: 3,6-Di-O-(triisopropylsilyl)-D-galactal; 3,6-二-O-(三异丙基硅基)-D-半乳醛

Database IDs

• CAS Number: 201053-37-4
• MDL Number: MFCD01863626
• PubChem SID: 24873160; 162232054
• PubChem CID: 10647578

CALCULATED PROPERTIES

• Acid pKa: 13.094676
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 6.5837
• LogD (pH = 7.4): 6.583699
• Log P: 6.5837
• Molar Refractivity: 120.7017 cm^3
• Polarizability: 52.521397 Å^3
• Polar Surface Area: 47.92 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Refractive Index: n20/D 1.478(lit.)
• Optical Rotation: [α]22/D -35°, c = 2.5 in chloroform

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C24H50O4Si2