Tetrahydro-2-[(2R)-1,1,2-trimethyl-3-(phenylsulfonyl)propoxy]-2H-pyran - CAS 93748-47-1
Catalog: |
BB057525 |
Product Name: |
Tetrahydro-2-[(2R)-1,1,2-trimethyl-3-(phenylsulfonyl)propoxy]-2H-pyran |
CAS: |
93748-47-1 |
Synonyms: |
Tetrahydro-2-[(2R)-1,1,2-trimethyl-3-(phenylsulfonyl)propoxy]-2H-pyran; 2-[(3R)-4-(Benzenesulfonyl)-2,3-dimethylbutan-2-yl]oxyoxane; 2-(((R)-2,3-Dimethyl-4-(phenylsulfonyl)butan-2-yl)oxy)tetrahydro-2H-pyran; 2-(3-Benzenesulfonyl-1,1,2-trimethyl-propoxy)-tetrahydro-pyran |
IUPAC Name: | 2-[(3R)-4-(benzenesulfonyl)-2,3-dimethylbutan-2-yl]oxyoxane |
Description: | Used in the preparation of Vitamin D2 derivatives. |
Molecular Weight: | 326.45 |
Molecular Formula: | C17H26O4S |
Canonical SMILES: | CC(CS(=O)(=O)C1=CC=CC=C1)C(C)(C)OC2CCCCO2 |
InChI: | InChI=1S/C17H26O4S/c1-14(13-22(18,19)15-9-5-4-6-10-15)17(2,3)21-16-11-7-8-12-20-16/h4-6,9-10,14,16H,7-8,11-13H2,1-3H3/t14-,16?/m0/s1 |
InChI Key: | BXLVDRBXXXGMES-LBAUFKAWSA-N |
Solubility: | Chloroform, Dichloromethane, Ethyl Acetate |
Appearance: | Colorless Liquid |
Complexity: | 432 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 326.15518048 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 326.15518048 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 61Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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