-
Name
2-[5-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy]-3,4-di hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-4-phosphonooxy-he xanedioic acid
- EINECS
- CAS No. 23526-02-5
- Density 2.27g/cm3
- Solubility
- Melting Point
- Formula C22H32 N5 O19 P
- Boiling Point 1263.8°Cat760mmHg
- Molecular Weight 701.492
- Flash Point 718.1°C
- Transport Information
- Appearance
- Safety Poison by unreported routes. Human mutation data reported.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Exotoxin(8CI); Di Beta; NSC 197177; Thuringiensin; Thuringiensin A; Thurintox; b-Exotoxin (Bacillusthuringiensis)
- PSA 399.32000
- LogP -5.81280
Bacillus thuringiensis exotoxin Chemical Properties
Molecular Formula: C22H32N5O19P
Molar mass: 701.4853 g/mol
Density: 2.27 g/cm3
Flash Point: 718.1 °C
Index of Refraction: 1.823
Boiling Point: 1263.8 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
Product categories of Bacillus thuringiensis exotoxin (23526-02-5): Toxic substances
Structure of Bacillus thuringiensis exotoxin (23526-02-5):
Systematic Name: 2-[5-[[5-(6-Aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy]-3,4-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3,5-dihydroxy-4-phosphonooxy-hexanedioic acid
SMILES: O=C(O)C(O)C(OP(=O)(O)O)C(O)C(OC4OC(C(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)C(O)C4O)CO)C(=O)O
InChI: InChI=1/C22H32N5O19P/c23-17-7-18(25-3-24-17)27(4-26-7)19-10(31)8(29)6(43-19)2-42-14-5(1-28)44-22(11(32)9(14)30)45-16(21(37)38)12(33)15(13(34)20(35)36)46-47(39,40)41/h3-6,8-16,19,22,28-34H,1-2H2,(H,35,36)(H,37,38)(H2,23,24,25)(H2,39,40,41)
InChIKey: OTLLEIBWKHEHGU-UHFFFAOYAX
Std. InChI: InChI=1S/C22H32N5O19P/c23-17-7-18(25-3-24-17)27(4-26-7)19-10(31)8(29)6(43-19)2-42-14-5(1-28)44-22(11(32)9(14)30)45-16(21(37)38)12(33)15(13(34)20(35)36)46-47(39,40)41/h3-6,8-16,19,22,28-34H,1-2H2,(H,35,36)(H,37,38)(H2,23,24,25)(H2,39,40,41)
Std. InChIKey: OTLLEIBWKHEHGU-UHFFFAOYSA-N
Flammable hazardous characteristics: Flammable; burning of toxic nitrogen oxide fumes
Storage features: Ventilated low-temperature drying
Fire-extinguishing agent: Dry powder, foam, sand, carbon dioxide, water mist
Bacillus thuringiensis exotoxin Toxicity Data With Reference
| 1. | sln-dmg-orl 1 pph | HEREAY Hereditas, 85 (1977),113. | ||
| 2. | cyt-hmn:leu 20 pph | HEREAY Hereditas, 85 (1977),105. | ||
| 3. | cyt-rat-orl 4500 g/kg/90D-C | HEREAY Hereditas, 85 (1977),105. | ||
| 4. | ivn-rat LD50:>300 mg/kg | NYKZAU Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. (Nippon Yakuri Gakkai, 2-4-16, Yayoi, Bunkyo-Ku, Tokyo 113, Japan) V.40- 1944- 77 (3),(1981),1P-36P. | ||
| 5. | unr-rat LD50:390 mg/kg | GISAAA Gigiena i Sanitariya, 55 (6)(1990),86. | ||
| 6. | unr-mus LD50:672 mg/kg | GISAAA Gigiena i Sanitariya, 55 (6)(1990),86. | ||
| 7. | unr-rbt LD50:300 mg/kg | GISAAA Gigiena i Sanitariya, 55 (6)(1990),86. | ||
| 8. | unr-gpg LD50:175 mg/kg | GISAAA Gigiena i Sanitariya, 55 (6)(1990),86. |
Bacillus thuringiensis exotoxin Safety Profile
Poison by unreported routes. Human mutation data reported.
Bacillus thuringiensis exotoxin Specification
Bacillus thuringiensis exotoxin (23526-02-5) also can be called Thuringiensin A ; Bacillus thuringiensis B toxin ; Bacillus thuringensis B exotoxin ;and beta-Exotoxin (bacillus thuringiensis) .
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