(1a,3R,4a,5R)-3,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1,4-dihydroxy-cyclohexanecarboxylic Acid Methyl Ester - CAS 135711-62-5
Catalog: |
BB073028 |
Product Name: |
(1a,3R,4a,5R)-3,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1,4-dihydroxy-cyclohexanecarboxylic Acid Methyl Ester |
CAS: |
135711-62-5 |
Synonyms: |
[1R-(1α,3α,4α,5β)]-3,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1,4-dihydroxy-cyclohexanecarboxylic Acid Methyl Ester |
IUPAC Name: | methyl (3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylate |
Description: | Used in the preparation of Vitamin D compounds. |
Molecular Weight: | 434.71 |
Molecular Formula: | C20H42O6Si2 |
Canonical SMILES: | CC(C)(C)[Si](C)(C)OC1CC(CC(C1O)O[Si](C)(C)C(C)(C)C)(C(=O)OC)O |
InChI: | InChI=1S/C20H42O6Si2/c1-18(2,3)27(8,9)25-14-12-20(23,17(22)24-7)13-15(16(14)21)26-28(10,11)19(4,5)6/h14-16,21,23H,12-13H2,1-11H3/t14-,15-,16?,20?/m1/s1 |
InChI Key: | DBNMGEIRSATOJZ-SSWGIJEZSA-N |
Solubility: | CDCl3, CD3OD |
Complexity: | 524 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 434.25199212 |
Formal Charge: | 0 |
Heavy Atom Count: | 28 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 434.25199212 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 85.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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