CID 98222
(7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl)methyl 2,3-dihydroxy-2-(1-methoxyethyl)-3-methylbutanoate
Also Known As: EUROPINE|KST-1A6253|NCI60_041999|(1-hydroxy-2,3,5,7a-tetrahydro-1h-pyrrolizin-7-yl)methyl 2,3-dihydroxy-2-(1-methoxyethyl)-3-methylbutanoate(non-preferred name)|(7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl)methyl 2,3-dihydroxy-2-(1-methoxyethyl)-3-methylbutanoate|Butanoic acid, 2,3,dihydroxy-2-(1-methoxyethyl)-3-methyl-, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, (1S-(1alpha,7(S*(R*)),7aalpha))-
| Molecular Formula | C16H27NO6 |
|---|---|
| Molecular Weight | 329.18384 g/mol |
| LogP | -0.56 |
| Topological Polar Surface Area | 99.46 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 329.18384 |
| Heavy Atoms | 23 |
| Complexity | 485.5 |
Chemical Identifiers
| CAS Number | 570-19-4 |
|---|---|
| SMILES | CC(C(C(=O)OCC1=CCN2C1C(CC2)O)(C(C)(C)O)O)OC |
Product Overview
CID 98222 (CAS 570-19-4), with molecular formula C16H27NO6 and molecular weight 329.18384 g/mol. IUPAC: (7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl)methyl 2,3-dihydroxy-2-(1-methoxyethyl)-3-methylbutanoate.
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