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Grayanotoxin III

Grayanotoxin III structure

CAS No:
4678-45-9
Formula:
C20H34O6
Chemical Name:
Grayanotoxin III
Synonyms:
Grayanotoxane-3,5,6,10,14,16-hexol,(3β,6β,14R)-;Grayanotoxin III;(3β,6β,14R)-Grayanotoxane-3,5,6,10,14,16-hexol;Deacylasebotoxin I;Deacetylandromedotoxin;(-)-Grayanotoxin III;FDA 1962;NSC 323778;Andromedol;6855-95-4;25530-65-8
Categories:
Organic Chemistry > Carboxylic Acids and Derivatives

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Grayanotoxin III Basic Attributes

Molecular Weight：

370.48000

Exact Mass：

370.48

NSC Number：

323778

Characteristics

PSA：

121.38000

XLogP3：

0.16830

Density：

1.36g/cm3

Melting Point：

218 °C (decomp)

Boiling Point：

552.6ºC at 760 mmHg

Flash Point：

250.9ºC

Refractive Index：

1.619

Toxicity：

LD50 i.p. in mice: 0.84 mg/kg (Hikino, 1976)

Safety Information

Hazard category：

6.1(a)

Transport codes：

UN 2811 6.1/PG 3

wgk germany：

hazard class code：

23/24/25-36/38

safety instructions：

S22;S26;S45;S36/S37/S39

Marks：

Computed Properties

Molecular Weight:370.5
XLogP3:0.3
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:6
Exact Mass:370.23553880
Monoisotopic Mass:370.23553880
Topological Polar Surface Area:121
Heavy Atom Count:26
Complexity:623
Undefined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Shaanxi Dideu Medichem Co. Ltd Contact Supplier

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GRAYANOTOXIN III

CAS No.: 4678-45-9

Grade: Industrial Grade

Content: 99.0%

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