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Ehretioside B

Ehretioside B structure

CAS No:
156368-84-2
Formula:
C14H17NO7
Chemical Name:
Ehretioside B
Synonyms:
Ehretioside B;2-(beta-D-Glucopyranosyloxy)-4-hydroxybenzeneacetonitrile
Categories:
Natural Products > Phenols

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Ehretioside B Basic Attributes

Molecular Weight：

311.28728

Exact Mass：

311.101

Characteristics

PSA：

143

XLogP3：

-1

Density：

1.547±0.06 g/cm3(Predicted)

Boiling Point：

637.6±55.0 °C(Predicted)

Computed Properties

Molecular Weight:311.29
XLogP3:-1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:311.10050188
Monoisotopic Mass:311.10050188
Topological Polar Surface Area:143
Heavy Atom Count:22
Complexity:411
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes