trans-(±)-3,5-Dihydroxy-cyclohexanone - CAS 165523-04-6
Catalog: |
BB062925 |
Product Name: |
trans-(±)-3,5-Dihydroxy-cyclohexanone |
CAS: |
165523-04-6 |
Synonyms: |
(3R,5R)-3,5-Dihydroxycyclohexanone; (3R-trans)-3,5-Dihydroxy-cyclohexanone |
IUPAC Name: | (3R,5R)-3,5-dihydroxycyclohexan-1-one |
Description: | (3R-trans)-3,5-Dihydroxy-cyclohexanone is used in the synthesis of Norvitamin D compounds. |
Molecular Weight: | 130.14 |
Molecular Formula: | C6H10O3 |
Canonical SMILES: | C1C(CC(=O)CC1O)O |
InChI: | InChI=1S/C6H10O3/c7-4-1-5(8)3-6(9)2-4/h4-5,7-8H,1-3H2/t4-,5-/m1/s1 |
InChI Key: | WTRJYFFVLSDQFC-RFZPGFLSSA-N |
References: | Sicinski, R. et al. Bioorg. Med. Chem. Lett., 5, 899 (1995). |
Complexity: | 110 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 130.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 130.062994177 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 57.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.2 |
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