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4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuro[3,2-g]chromen-7-one

4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuro[3,2-g]chromen-7-one structure

CAS No:
131623-13-7
Formula:
C17H16O9
Chemical Name:
4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuro[3,2-g]chromen-7-one
Synonyms:
bergaptol-O-beta-D-glucopyranoside;bergaptol-O-glucopyranoside;Bergaptol-O-glucopyranoside;131623-13-7;4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuro[3,2-g]chromen-7-one;Bergaptol-O-beta-D-glucopyranoside;Bergaptol-?O-?Glucopyranoside;Bergaptol beta-D-glucopyranoside;DTXSID00157149;7H-Furo(3,2-g)(1)benzopyran-7-one, 4-(beta-D-glucopyranosyloxy)-
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuro[3,2-g]chromen-7-one Basic Attributes

Molecular Weight：

364.3 g/mol

Exact Mass：

364.07943208 g/mol

DSSTox ID：

DTXSID00157149

Characteristics

PSA：

139 Å²

Drug Information

MeSH Entry Terms：

bergaptol-O-beta-D-glucopyranoside

Computed Properties

Molecular Weight:364.3
XLogP3:0.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:3
Exact Mass:364.07943208
Monoisotopic Mass:364.07943208
Topological Polar Surface Area:139
Heavy Atom Count:26
Complexity:566
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 131623-13-7

Grade: Research Grade

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Guide of 4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuro[3,2-g]chromen-7-one

Basic Attributes
Characteristics
Drug Information
Computed Properties
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