(2-{[(3aRS,5aRS,8aSR,8bRS)-2,2,7,7-tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carbonyl]amino}acetamido)acetic acid
Chemical Structure Depiction of
(2-{[(3aRS,5aRS,8aSR,8bRS)-2,2,7,7-tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carbonyl]amino}acetamido)acetic acid
(2-{[(3aRS,5aRS,8aSR,8bRS)-2,2,7,7-tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carbonyl]amino}acetamido)acetic acid
Compound characteristics
| Compound ID: | 4280-0001 |
| Compound Name: | (2-{[(3aRS,5aRS,8aSR,8bRS)-2,2,7,7-tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carbonyl]amino}acetamido)acetic acid |
| Molecular Weight: | 388.37 |
| Molecular Formula: | C16 H24 N2 O9 |
| Smiles: | CC1(C)O[C@H]2[C@H](C(C(NCC(NCC(O)=O)=O)=O)O[C@H]3[C@@H]2OC(C)(C)O3)O1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.7337 |
| logD: | -4.662 |
| logSw: | -0.8739 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 117.624 |
| InChI Key: | QCBKOFMARPFBBC-CIXTTWKJSA-N |