Cas no 208462-99-1 (2,4-O-(3,4-Dimethylbenzylidene)-D-sorbitol)
208462-99-1 structure
Product Name:2,4-O-(3,4-Dimethylbenzylidene)-D-sorbitol
CAS No:208462-99-1
MF:C15H22O6
MW:298.331585407257
CID:66790
PubChem ID:21971286
Update Time:2025-04-18
2,4-O-(3,4-Dimethylbenzylidene)-D-sorbitol Chemical and Physical Properties
Names and Identifiers
-
- 2,4-O-(3,4-Dimethylbenzylidene)-D-sorbitol
- D-Glucitol, 2,4-O-[(3,4-diMethylphenyl)Methylene]-
- D-Glucitol,2,4-O-[(3,4-dimethylphenyl)methylene]-
- 2,4-O-[(3,4-Dimethylphenyl)methylene]-D-glucitol
- SCHEMBL6130178
- (1R)-1-[(4R,5R,6S)-2-(3,4-DIMETHYLPHENYL)-5-HYDROXY-6-(HYDROXYMETHYL)-1,3-DIOXAN-4-YL]ETHANE-1,2-DIOL
- 208462-99-1
- DTXSID401235636
-
- Inchi： 1S/C15H22O6/c1-8-3-4-10(5-9(8)2)15-20-12(7-17)13(19)14(21-15)11(18)6-16/h3-5,11-19H,6-7H2,1-2H3/t11-,12+,13-,14-,15?/m1/s1
- InChI Key： PQJFQFWTXROJQA-PFNKYVCDSA-N
- SMILES： O1C(C2C=CC(C)=C(C)C=2)O[C@@H](CO)[C@H]([C@H]1[C@@H](CO)O)O
Computed Properties
- Exact Mass: 298.14200
- Monoisotopic Mass: 298.14163842g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 325
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.1
- Topological Polar Surface Area: 99.4?2
Experimental Properties
- PSA: 99.38000
- LogP: -0.20760
2,4-O-(3,4-Dimethylbenzylidene)-D-sorbitol Related Literature
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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5. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
208462-99-1 (2,4-O-(3,4-Dimethylbenzylidene)-D-sorbitol) Related Products
- 14155-23-8(Methyl 4,6-O-Benzylidene-b-D-glucopyranoside)
- 109428-30-0(1,5:2,3-Dianhydro-4,6-O-benzylidene-D-allitol)
- 135861-56-2((1R)-1-((4R,4aR,8aS)-2,6-Bis(3,4-dimethylphenyl)tetrahydro-1,3dioxino5,4-d1,3dioxin-4-yl)ethane-1,2-diol)
- 32647-67-9(Dibenzylidene sorbitol)
- 152613-20-2(1,5-Anhydro-4,6-O-benzylidene-3-deoxy-D-glucitol)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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