(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-hydroxybenzo[a]pyren-6-yl)oxyoxane-2-carboxylic acid

Modify Date: 2025-08-25 09:33:04

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-hydroxybenzo[a]pyren-6-yl)oxyoxane-2-carboxylic acid Structure
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-hydroxybenzo[a]pyren-6-yl)oxyoxane-2-carboxylic acid structure
 Common Name (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-hydroxybenzo[a]pyren-6-yl)oxyoxane-2-carboxylic acid
CAS Number 97387-24-1 Molecular Weight 460.43200
Density N/A Boiling Point N/A
Molecular Formula C26H20O8 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-hydroxybenzo[a]pyren-6-yl)oxyoxane-2-carboxylic acid
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C26H20O8
Molecular Weight 460.43200
Exact Mass 460.11600
PSA 136.68000
LogP 2.71380
InChIKey XZAGDEZGFQNXIS-SNYRDRRFSA-N
SMILES O=C(O)C1OC(Oc2c3ccccc3c3ccc4ccc(O)c5ccc2c3c45)C(O)C(O)C1O

 Synonyms

Benzo(a)pyrene-3,6-quinol glucuronide
BP-3,6-Quinol-GL
Benzo(a)pyrene-3,6-quinol monoglucuronide
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Chemsrc provides CAS#:97387-24-1 MSDS, density, melting point, boiling point, structure, etc. Its name is (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-hydroxybenzo[a]pyren-6-yl)oxyoxane-2-carboxylic acid>> amp version: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-hydroxybenzo[a]pyren-6-yl)oxyoxane-2-carboxylic acid

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