![(2S,3S,4S,5R)-6-benzo[b]pyren-6-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid structure](/static/products/6026/60262-85-3.webp)
(2S,3S,4S,5R)-6-benzo[b]pyren-6-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid
(2S,3S,4S,5R)-6-benzo[b]pyren-6-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Benzo(a)pyrene-6-glucuronide|Benzo(a)pyrenyl-6-glucuronide|BENZO[A]PYRENE-6-GLUCURONIDE|Benzo[pqr]tetraphen-6-yl hexopyranosiduronic acid|Benzo[pqr]tetraphen-6-yl D-glucopyranosiduronic acid|(2S,3S,4S,5R)-6-benzo[b]pyren-6-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid
| Molecular Formula | C26H20O7 |
|---|---|
| Molecular Weight | 444.1209 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 444.1209 |
| Monoisotopic Mass | 444.1209 |
| Heavy Atoms | 33 |
| Complexity | 744.0 |
Chemical Identifiers
| CAS Number | 60262-85-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C4C(=C2OC5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C=CC6=CC=CC(=C64)C=C3 |
| InChIKey | KFMNIRXSVPJVJN-QKBZUBFZSA-N |
Product Overview
(2S,3S,4S,5R)-6-benzo[b]pyren-6-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid (CAS 60262-85-3), with molecular formula C26H20O7 and molecular weight 444.1209 g/mol. IUPAC: (2S,3S,4S,5R)-6-benzo[b]pyren-6-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
(2S,3S,4S,5R)-6-benzo[b]pyren-6-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid is a custom synthesis product. We offer services from milligram to kilogram scale.
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