(4R)-4,5-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane

• ChemBase ID: 137960
• Molecular Formular: C15H26O6
• Molecular Mass: 302.36334
• Monoisotopic Mass: 302.17293855
• SMILES: CC1(OC[C@@H](O1)[C@@H]1C(OC(O1)(C)C)[C@H]1COC(O1)(C)C)C
• Canonical SMILES: CC1(C)OC([C@H](O1)[C@H]1COC(O1)(C)C)[C@H]1COC(O1)(C)C
• InChI: InChI=1S/C15H26O6/c1-13(2)16-7-9(18-13)11-12(21-15(5,6)20-11)10-8-17-14(3,4)19-10/h9-12H,7-8H2,1-6H3/t9-,10-,11-,12?/m1/s1
• InChIKey: CKECEWYVEGPMPE-KBIHSYGRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4R)-4,5-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane
• IUPAC Traditional name: (4R)-4,5-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane
• Synonyms: 1,2:3,4:5,6-Tri-O-isopropylidene-D-mannitol; 1,2:3,4:5,6-三-O-异亚丙基-D-甘露糖醇

Database IDs

• CAS Number: 3969-59-3
• PubChem SID: 162232219
• PubChem CID: 71310094

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.377255
• LogD (pH = 7.4): 1.377255
• Log P: 1.377255
• Molar Refractivity: 75.0246 cm^3
• Polarizability: 30.416552 Å^3
• Polar Surface Area: 55.38 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 69-71 °C(lit.)
• Optical Rotation: [α]20/D +14.0°, c = 1.7 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: 98%
• Empirical Formula (Hill Notation): C15H26O6

DETAILS

Sigma Aldrich - 390224

Features and Benefits
Precursor to mono- and diisopropylidene mannitols.