1,3:2,4-Bis-O-(3,4-dimethylbenzylidene)-D-sorbitol

• Catalog Number: ACM135861562
• Product Name: 1,3:2,4-Bis-O-(3,4-dimethylbenzylidene)-D-sorbitol
• CAS: 135861-56-2
• Category: Main Products
• Description: DryPowder
• IUPAC Name: (1R)-1-[(4R,4aR,8aS)-2,6-bis(3,4-dimethylphenyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol
• Molecular Weight: 414.5g/mol
• Molecular Formula: C24H30O6
• Canonical SMILES: CC1=C(C=C(C=C1)C2OCC3C(O2)C(OC(O3)C4=CC(=C(C=C4)C)C)C(CO)O)C
• InChI: InChI=1S/C24H30O6/c1-13-5-7-17(9-15(13)3)23-27-12-20-22(30-23)21(19(26)11-25)29-24(28-20)18-8-6-14(2)16(4)10-18/h5-10,19-26H,11-12H2,1-4H3/t19-,20+,21-,22-,23?,24?/m1/s1
• InChI Key: YWEWWNPYDDHZDI-JJKKTNRVSA-N
• Melting Point: 275 °C (lit.)
• Complexity: 558
• Covalently-Bonded Unit Count: 1
• EC Number: 413-110-2;603-934-2
• Exact Mass: 414.204239g/mol
• Formal Charge: 0
• H-Bond Acceptor: 6
• H-Bond Donor: 2
• Heavy Atom Count: 30
• Monoisotopic Mass: 414.204239g/mol
• Rotatable Bond Count: 4
• UNII: ZR857KD5X9
• XLogP3: 2.8