5-acetamido-2-[(acetyloxy)methyl]-6-[(tetrahydro-3'aH-dispiro[cyclohexane-1,2'-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-7',1''-cyclohexan]-5'-yl)methoxy]oxane-3,4-diyl diacetate
Chemical Structure Depiction of
5-acetamido-2-[(acetyloxy)methyl]-6-[(tetrahydro-3'aH-dispiro[cyclohexane-1,2'-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-7',1''-cyclohexan]-5'-yl)methoxy]oxane-3,4-diyl diacetate
5-acetamido-2-[(acetyloxy)methyl]-6-[(tetrahydro-3'aH-dispiro[cyclohexane-1,2'-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-7',1''-cyclohexan]-5'-yl)methoxy]oxane-3,4-diyl diacetate
Compound characteristics
| Compound ID: | 8019-5019 |
| Compound Name: | 5-acetamido-2-[(acetyloxy)methyl]-6-[(tetrahydro-3'aH-dispiro[cyclohexane-1,2'-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-7',1''-cyclohexan]-5'-yl)methoxy]oxane-3,4-diyl diacetate |
| Molecular Weight: | 669.72 |
| Molecular Formula: | C32 H47 N O14 |
| Smiles: | CC(NC1C(C(C(COC(C)=O)OC1OCC1C2C(C3C(O1)OC1(CCCCC1)O3)OC1(CCCCC1)O2)OC(C)=O)OC(C)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.222 |
| logD: | 2.222 |
| logSw: | -2.2876 |
| Hydrogen bond acceptors count: | 18 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 141.221 |
| InChI Key: | KQPACFUEGAAHNG-UHFFFAOYSA-N |