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Taxiphyllin

Taxiphyllin structure

CAS No:
21401-21-8
Formula:
C14H17NO7
Chemical Name:
Taxiphyllin
Synonyms:
Benzeneacetonitrile,α-(β-D-glucopyranosyloxy)-4-hydroxy-,(αR)-;Acetonitrile,(β-D-glucopyranosyloxy)(p-hydroxyphenyl)-;Benzeneacetonitrile,α-(β-D-glucopyranosyloxy)-4-hydroxy-,(R)-;Glucopyranoside,D-α-cyano-p-hydroxybenzyl;(αR)-α-(β-D-Glucopyranosyloxy)-4-hydroxybenzeneacetonitrile;Taxiphyllin;(2R)-Taxiphyllin
Categories:
Natural Products > Phenols

Description

(R)-4-hydroxymandelonitrile beta-D-glucoside is a beta-D-glucoside consisting of (R)-prunasin carrying a hydroxy substituent at position 4 on the phenyl ring. It is a beta-D-glucoside and a nitrile. It derives from a (R)-prunasin.

Taxiphyllin Basic Attributes

Molecular Weight：

311.28728

Exact Mass：

311.29

DSSTox ID：

DTXSID70175673

Characteristics

PSA：

143

XLogP3：

-1.65

Density：

1.6±0.1 g/cm3

Melting Point：

168-169 °C (decomp) @ Solvent: Ethanol, Benzene

Boiling Point：

586.7±50.0 °C at 760 mmHg

Flash Point：

308.6±30.1 °C

Refractive Index：

1.650

Drug Information

MeSH Entry Terms：

(R)-p-hydroxymandelonitrile-D-glucopyranoside

Computed Properties

Molecular Weight:311.29
XLogP3:-0.9
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:403
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 21401-21-8

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