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

• ChemBase ID: 137301
• Molecular Formular: C26H52O5Si2
• Molecular Mass: 500.85908
• Monoisotopic Mass: 500.33532783
• 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)OC(=O)C
• Canonical SMILES: CC(=O)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/C26H52O5Si2/c1-17(2)32(18(3)4,19(5)6)29-16-25-26(30-23(13)27)24(14-15-28-25)31-33(20(7)8,21(9)10)22(11)12/h14-15,17-22,24-26H,16H2,1-13H3/t24-,25-,26-/m1/s1
• InChIKey: QRUQNCIVNNLVGC-TWJOJJKGSA-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-yl acetate
• IUPAC Traditional name: (2R,3S,4R)-4-[(triisopropylsilyl)oxy]-2-{[(triisopropylsilyl)oxy]methyl}-3,4-dihydro-2H-pyran-3-yl acetate
• Synonyms: 4-O-Acetyl-3,6-di-O-(triisopropylsilyl)-D-galactal; 4-O-乙酰基-3,6-二-O-(三异丙基硅基)-D-半乳醛

Database IDs

• CAS Number: 201053-38-5
• MDL Number: MFCD01863631
• PubChem SID: 24873173; 162231565
• PubChem CID: 10864029

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 7.0128
• LogD (pH = 7.4): 7.0128
• Log P: 7.0128
• Molar Refractivity: 129.8532 cm^3
• Polarizability: 56.352474 Å^3
• Polar Surface Area: 53.99 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Refractive Index: n20/D 1.475(lit.)
• Optical Rotation: [α]23/D -39°, c = 1 in chloroform

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C26H52O5Si2