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Di Beta

HCID 20056441
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
23526-02-5
표준 SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H](C(=O)O)[C@H](O)[C@H](OP(=O)(O)O)[C@H](O)C(=O)O)O[C@@H]2CO)[C@@H](O)[C@H]1O
InChIKey
OTLLEIBWKHEHGU-TUNUFRSWSA-N
분자식
C22H32N5O19P
평균 분자량
701.5 g/mol
단동위원소 질량
701.14291081

개요

RN given refers to parent cpd

이름 및 식별자

우선 이름
Di Beta
IUPAC
(2R,3S,4S,5S)-2-[(2R,3R,4R,5S,6R)-5-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-4-phosphonooxyhexanedioic acid
영어명
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
분자식
C22H32N5O19P
분자량
701.49

이름 및 동의어

ThuringiensinThuringiensin AThurintoxJBU770V87C23526-02-5Bacillus thuringiensis B toxinBacillus thuringiensis exotoxinbeta-Exotoxin (bacillus thuringiensis)NSC-1971772-[(2R,3R,4R,5S,6R)-5-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-4-phosphonooxyhexanedioic acidDTXSID4035706Di Beta
이름 더 보기
β-ExotoxinD-Allaric acid, O-5'-deoxyadenosin-5'-yl-(5'→4)-O-α-D-glucopyranosyl-(1→2)-, 4-(dihydrogen phosphate)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
2-((2R,3R,4R,5S,6R)-5-(((2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl)methoxy)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-3,5-dihydroxy-4-phosphonooxyhexanedioic acidRefChem:585926DTXCID2015706beta-exotoxin, Bacillus thuringiensis(2R,3S,4S,5S)-2-[(2R,3R,4R,5S,6R)-5-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-4-phosphonooxyhexanedioic acidTuringin-1Turingin-1 [Russian]UNII-JBU770V87C

물성

구조 계산 물성

XLogP
-7
극성 표면적
390 Ų
수소 결합 공여자 수
12
수소 결합 수용자 수
23
회전 가능 결합 수
14
무거운 원자 수
47
형식 전하
0
복잡도
1,140

실험 및 물리화학적 성질

Chemical ClassesBiological Agents -> Bacterial Toxins

물리화학적 성질

끓는 점
1263.8 · 1263.8±75.0 °C(Predicted)
밀도
2.27 · 2.27±0.1 g/cm3(Predicted)
산도 계수 (pKa)
1.69 · 1.69±0.10(Predicted)
EPA
Thuringiensin (23526-02-5)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

유해성 정보

Hazards SummaryCauses stiffness, change in cardiac rate, and respiratory stimulation in inhalation lethal-concentration studies of rats; [RTECS]

독성 정보

Acute Toxicity LinkChemical: BACILLUS THURINGIENSIS
Toxicity DataLC50 (rat) = 300 mg/m3

안전 데이터

독성
sln-dmg-orl 1 pph HEREAY 85,113,77

화학 및 산업

용도 및 제조

Uses · 1건

Bacillus thuringiensis strains of bacteria produce delta-endotoxins that are used to control various types of insects; Some isolates also produce thuringiensin, a beta-exotoxin that has to be removed from insecticide production batches; [Reference #1]

Use ClassificationINSECTICIDES
응용 분야 · 2건

개요β-Exotoxin, the other toxin produced by B. thuringiensis, is being emphasized as an insecticide. β-Exotoxin is a nucleotide produced during the vegetative stage of bacterial growth. It is composed of adenine, ribose, glucose, and allaric acid with a phosphate group. β-Exotoxin is heat stable and is produced by subspecies thuringiensis, kenyae, morrisoni, tolworthi, and darmstadiensis. These subspecies produce different quantities of exotoxin, depending on the culture medium. Also, indications are that some subspecies produce more than one exotoxin. Commercial production of β-exotoxin is carried out under patent US 3758383.

용도2-[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 is a thermostable metabolite produced by some strains of Bacillus thuringiensis. 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 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.

공급사8 곳

台州南峰药物研究所[email protected] 13127117265 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
BOC Sciences

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데이터베이스 식별자

CAS
23526-02-5
PubChem CID
20056441
UNII
JBU770V87C
Nikkaji
J642.777D
16314854226 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]