(2S,3S,4S,5R,6S)-6-[6-[(3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxybenzo[a]pyren-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Modify Date: 2025-08-23 10:20:29
![(2S,3S,4S,5R,6S)-6-[6-[(3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxybenzo[a]pyren-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid Structure](https://image.chemsrc.com/caspic/498/97287-75-7.png)
(2S,3S,4S,5R,6S)-6-[6-[(3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxybenzo[a]pyren-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid structure
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Common Name | (2S,3S,4S,5R,6S)-6-[6-[(3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxybenzo[a]pyren-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid | ||
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| CAS Number | 97287-75-7 | Molecular Weight | 636.55600 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C32H28O14 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
| Name | (2S,3S,4S,5R,6S)-6-[6-[(3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxybenzo[a]pyren-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid |
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| Synonym | More Synonyms |
| Molecular Formula | C32H28O14 |
|---|---|
| Molecular Weight | 636.55600 |
| Exact Mass | 636.14800 |
| PSA | 232.90000 |
| LogP | 0.27920 |
| InChIKey | XJZJSOOVGHURSS-MOMWAVNLSA-N |
| SMILES | O=C(O)C1OC(Oc2ccc3ccc4c5ccccc5c(OC5OC(C(=O)O)C(O)C(O)C5O)c5ccc2c3c54)C(O)C(O)C1O |
| BP-3,6-Quinol-dgl |
| Benzo(a)pyrene-3,6-quinol diglucuronide |