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Deepoxydeoxynivalenol

Deepoxydeoxynivalenol structure

CAS No:
88054-24-4
Formula:
C15H20O5
Chemical Name:
Deepoxydeoxynivalenol
Synonyms:
Trichotheca-9,12-dien-8-one,3,7,15-trihydroxy-,(3α,7α)-;2,5-Methano-1-benzoxepin,trichotheca-9,12-dien-8-one deriv.;(3α,7α)-3,7,15-Trihydroxytrichotheca-9,12-dien-8-one;DOM 1;Deepoxydeoxynivalenol
Categories:
Analytical Chemistry > Standard

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Deepoxydeoxynivalenol Basic Attributes

Molecular Weight：

280.318

Exact Mass：

280.32

EC Number：

200-835-2

Characteristics

PSA：

XLogP3：

Density：

1.35g/cm3

Boiling Point：

483.3ºC at 760 mmHg

Flash Point：

2 °C

Refractive Index：

1.602

Storage Conditions：

−20°C

Safety Information

Transport codes：

UN16483/PG2

wgk germany：

hazard class code：

11-20/21/22-36

safety instructions：

16-36/37

Marks：

F,Xn

Precautionary statement(s)：

P210-P280-P305 + P351 + P338

Hazard Statements：

H225-H302-H312-H319-H332

GHS Classification：

|Danger|H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]|P260, P264, P270, P280, P301+P310, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

de-epoxy-deoxynivalenol

Computed Properties

Molecular Weight:280.32
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:280.13107373
Monoisotopic Mass:280.13107373
Topological Polar Surface Area:87
Heavy Atom Count:20
Complexity:524
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes