4-[(3aS,5R,6aR)-6-chloro-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-5-yl]-2,2-dimethyl-1,3-dioxolane

• ChemBase ID: 164173
• Molecular Formular: C12H19ClO5
• Molecular Mass: 278.72926
• Monoisotopic Mass: 278.09210139
• SMILES: [C@H]1(C([C@H]2[C@@H](O1)OC(O2)(C)C)Cl)C1OC(OC1)(C)C
• Canonical SMILES: ClC1[C@H](O[C@@H]2[C@H]1OC(O2)(C)C)C1COC(O1)(C)C
• InChI: InChI=1S/C12H19ClO5/c1-11(2)14-5-6(16-11)8-7(13)9-10(15-8)18-12(3,4)17-9/h6-10H,5H2,1-4H3/t6?,7?,8-,9+,10+/m1/s1
• InChIKey: VCDDIVCAQXJYLP-UHRRMTARSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(3aS,5R,6aR)-6-chloro-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-5-yl]-2,2-dimethyl-1,3-dioxolane
• IUPAC Traditional name: 4-[(3aS,5R,6aR)-6-chloro-2,2-dimethyl-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2,2-dimethyl-1,3-dioxolane
• Synonyms: 3-Chloro-3-deoxy-1:2,5:6-diisopropylidene-D-glucopyranose

Database IDs

• PubChem SID: 162258308
• PubChem CID: 45038624

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.8269019
• LogD (pH = 7.4): 1.8269019
• Log P: 1.8269019
• Molar Refractivity: 63.3884 cm^3
• Polarizability: 26.100647 Å^3
• Polar Surface Area: 46.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMF; DMSO; Methanol
• Apperance: Colourless Oil