(2S,3S,4S,5R)-6-benzo[b]pyren-6-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid
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![(2S,3S,4S,5R)-6-benzo[b]pyren-6-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/93d5c771c5b9471081b0e752c8eeb990.png "(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
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CAS No:
60262-85-3
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Formula:
C26H20O7
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Chemical Name:
(2S,3S,4S,5R)-6-benzo[b]pyren-6-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid
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Synonyms:
60262-85-3;BENZO[A]PYRENE-6-GLUCURONIDE;DTXSID50975673;Benzo[pqr]tetraphen-6-yl hexopyranosiduronic acid
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CAS No:
(2S,3S,4S,5R)-6-benzo[b]pyren-6-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid Basic Attributes
444.4 g/mol
444.12090297 g/mol
Computed Properties
Molecular Weight:444.4
XLogP3:4.4
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:444.12090297
Monoisotopic Mass:444.12090297
Topological Polar Surface Area:116
Heavy Atom Count:33
Complexity:744
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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