
138-55-6
| Name | (4S)-2,6,6-trimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-cyclohexene-1-carbaldehyde |
| CAS | 138-55-6 |
| Molecular Formula | C16H26O7 |
| MDL Number | MFCD09752814 |
| Molecular Weight | 330.37 |
| MOL File | 138-55-6.mol |
Chemical Properties
| Melting point | 196℃ (ethyl acetate ) |
| alpha | D20 -58° (c = 0.6) |
| Boiling point | 520.4±50.0 °C(Predicted) |
| density | 1.31±0.1 g/cm3 (20 ºC 760 Torr) |
| storage temp. | 4°C, protect from light |
| solubility | Acetonitrile: Slightly Soluble Methanol: Soluble Water: Slightly Soluble |
| form | Solid |
| pka | 12.91±0.70(Predicted) |
| color | White to off-white |
| InChI | InChI=1/C16H26O7/c1-8-4-9(5-16(2,3)10(8)6-17)22-15-14(21)13(20)12(19)11(7-18)23-15/h6,9,11-15,18-21H,4-5,7H2,1-3H3/t9-,11-,12-,13+,14-,15-/s3 |
| InChIKey | WMHJCSAICLADIN-LZYGGLMUNA-N |
| SMILES | [C@@H]1(O[C@H]2CC(C)(C)C(C=O)=C(C)C2)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |&1:0,2,14,17,19,21,r| |
| LogP | -0.240 (est) |