2,3,6,7-Tetrahydro-2,6-dioxo-7-(phenylmethyl)-1H-purin-1-yl benzenesulfonate
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2,3,6,7-Tetrahydro-2,6-dioxo-7-(phenylmethyl)-1H-purin-1-yl benzenesulfonate
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CAS No:
1104-26-3
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Formula:
C18H14N4O5S
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Chemical Name:
2,3,6,7-Tetrahydro-2,6-dioxo-7-(phenylmethyl)-1H-purin-1-yl benzenesulfonate
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Synonyms:
Benzenesulfonic acid,2,3,6,7-tetrahydro-2,6-dioxo-7-(phenylmethyl)-1H-purin-1-yl ester;Xanthine,7-benzyl-1-hydroxy-,benzenesulfonate (ester);Xanthine,7-benzyl-1-hydroxy-,benzenesulfonate;2,3,6,7-Tetrahydro-2,6-dioxo-7-(phenylmethyl)-1H-purin-1-yl benzenesulfonate;NSC 86352;(7-Benzyl-2,6-dioxo-3H-purin-1-yl) benzenesulfonate
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CAS No:
2,3,6,7-Tetrahydro-2,6-dioxo-7-(phenylmethyl)-1H-purin-1-yl benzenesulfonate Basic Attributes
398.4 g/mol
398.39
86352
DTXSID80292885
Computed Properties
Molecular Weight:398.4
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:398.06849073
Monoisotopic Mass:398.06849073
Topological Polar Surface Area:119
Heavy Atom Count:28
Complexity:697
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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