AC1MI0TB
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-[4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenoxy]oxane-2-carboxylic acid
Also Known As: Diethylstilbestrol monoglucuronide|Diethyl Stilbestrol beta -D-Glucuronide|(2S,3S,4S,5R)-3,4,5-trihydroxy-6-[4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenoxy]oxane-2-carboxylic acid|4-[(1E)-1-Ethyl-2-(4-hydroxyphenyl)-1-buten-1-yl]phenyl beta-D-Glucopyranosiduronic Acid
CAS: 2408-40-4
| Molecular Formula | C24H28O8 |
|---|---|
| Molecular Weight | 444.1784 g/mol |
| LogP | 2.394 |
| Topological Polar Surface Area | 136.68 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 444.1784 |
| Monoisotopic Mass | 444.1784 |
| Heavy Atoms | 32 |
| Complexity | 950.9694 |
Chemical Identifiers
| CAS Number | 2408-40-4 |
|---|---|
| SMILES | CC/C(=C(/CC)\C1=CC=C(C=C1)OC2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)/C3=CC=C(C=C3)O |
Product Overview
AC1MI0TB (CAS 2408-40-4), with molecular formula C24H28O8 and molecular weight 444.1784 g/mol. IUPAC: (2S,3S,4S,5R)-3,4,5-trihydroxy-6-[4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenoxy]oxane-2-carboxylic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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