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Di Beta

Di Beta structure

Di Beta 

structure
  • CAS No:

    23526-02-5

  • Formula:

    C22H32N5O19P

  • Chemical Name:

    Di Beta

  • Synonyms:

    D-Allaric acid,O-5′-deoxyadenosin-5′-yl-(5′→4)-O-α-D-glucopyranosyl-(1→2)-,4-(dihydrogen phosphate);Exotoxin;Thuringiensin;β-Exotoxin (Bacillus thuringiensis);Thuringiensin A;Thurintox;Di Beta;NSC 197177;12653-60-0;159893-94-4

Di Beta Basic Attributes

701.49

701.49

Characteristics

399.32000

-5.81280

2.27g/cm3

1263.8ºC at 760mmHg

718.1ºC

1.823

0mmHg at 25°C

Unnamed-rat LD50; 390 mg/kg; Unnamed-mouse LD50: 672 mg/kg

Flammable; burning produces toxic nitrogen oxides and phosphorus oxide fumes

Safety Information

Ventilated, low temperature and dry; stored separately from food materials in warehouse

Toxicity

highly toxic

Di Beta Use and Manufacturing

β-Exotoxin is a thermostable metabolite produced by some strains of Bacillus thuringiensis. β-Exotoxin can be used to screen and quantify indigenous thuringiensin-producing Bacillus thuringiensis isolates. β-Exotoxin can cause damage to the host by destroying cells or disrupting normal cellular metabolism.

Computed Properties

Molecular Weight:701.5
XLogP3:-7
Hydrogen Bond Donor Count:12
Hydrogen Bond Acceptor Count:23
Rotatable Bond Count:14
Exact Mass:701.14291081
Monoisotopic Mass:701.14291081
Topological Polar Surface Area:390
Heavy Atom Count:47
Complexity:1140
Defined Atom Stereocenter Count:9
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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