AC1NQQOA
[6-[[1-hydroxy-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]carbamoyl]-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 4-[3-(4,4-dimethyl-2-oxooxolan-3-yl)oxy-3-oxoprop-1-enyl]benzoate
Also Known As: SAD-E_000939|[6-[[1-hydroxy-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]carbamoyl]-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 4-[3-(4,4-dimethyl-2-oxooxolan-3-yl)oxy-3-oxoprop-1-enyl]benzoate|6-[(5-tert-Butoxy-1-hydroxy-5-oxopentan-2-yl)carbamoyl]-3a,4,5,7a-tetrahydro-2H-1,3-benzodioxol-4-yl 4-{3-[(4,4-dimethyl-2-oxooxolan-3-yl)oxy]-3-oxoprop-1-en-1-yl}benzoate
| Molecular Formula | C33H41NO12 |
|---|---|
| Molecular Weight | 643.2629 g/mol |
| LogP | 2.3906 |
| Topological Polar Surface Area | 172.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 11 |
| Exact Mass | 643.2629 |
| Monoisotopic Mass | 643.2629 |
| Heavy Atoms | 46 |
| Complexity | 1373.6335 |
Chemical Identifiers
| CAS Number | 6100-69-2 |
|---|---|
| SMILES | CC1(COC(=O)C1OC(=O)C=CC2=CC=C(C=C2)C(=O)OC3CC(=CC4C3OCO4)C(=O)NC(CCC(=O)OC(C)(C)C)CO)C |
Product Overview
AC1NQQOA (CAS 6100-69-2), with molecular formula C33H41NO12 and molecular weight 643.2629 g/mol. IUPAC: [6-[[1-hydroxy-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]carbamoyl]-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 4-[3-(4,4-dimethyl-2-oxooxolan-3-yl)oxy-3-oxoprop-1-enyl]benzoate.