S-(4,5-dihydroxy-6-methoxyoxan-3-yl) benzenecarbothioate
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S-(4,5-dihydroxy-6-methoxyoxan-3-yl) benzenecarbothioate
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CAS No:
2495-98-9
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Formula:
C13H16O5S
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Chemical Name:
S-(4,5-dihydroxy-6-methoxyoxan-3-yl) benzenecarbothioate
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Synonyms:
Methyl 4-S-benzoyl-4-thiopentopyranoside;NSC80099;2495-98-9;NSC 80099;NCIOpen2_004174;DTXSID20947827;NSC-80099;S-(4,5-dihydroxy-6-methoxy-tetrahydropyran-3-yl) benzenecarbothioate
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CAS No:
S-(4,5-dihydroxy-6-methoxyoxan-3-yl) benzenecarbothioate Basic Attributes
284.33 g/mol
284.07184478 g/mol
80099
Computed Properties
Molecular Weight:284.33
XLogP3:0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:284.07184478
Monoisotopic Mass:284.07184478
Topological Polar Surface Area:101
Heavy Atom Count:19
Complexity:305
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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