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기본 정보
- CAS
102583-47-1- 표준 SMILES
OCC1=C[C@@H](N[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H](CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
QYKWCMVFBWGYRE-IVFZNUECSA-N- 분자식
- C20H35NO14
- 평균 분자량
- 513.493 g/mol
- 단동위원소 질량
- 513.2057548
이름 및 식별자
- 우선 이름
- 2,3,5-Trihydroxy-6-(hydroxymethyl)-4-{[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}cyclohexyl hexopyranoside
- IUPAC
- (1R,2R,3S,4R,5R,6S)-2,3,5-Trihydroxy-6-(hydroxymethyl)-4-{[(1R,4S,5R,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}cyclohexyl beta-L-glucopyranoside
- 영어명
- Validamycin B
- 분자식
- C20H35NO14
- 분자량
- 513.49
이름 및 동의어
Validamycin BD-chiro-Inositol, 1,5-dideoxy-4-O-β-D-glucopyranosyl-5-(hydroxymethyl)-1-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-(2S,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[(1R,2R,3S,4R,5R,6S)-2,3,5-trihydroxy-6-(hydroxymethyl)-4-[[(1R,4S,5R,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexyl]oxyoxane-3,4,5-triol
데이터베이스 식별자
- CAS
102583-47-1- PubChem CID
- 3086479
- DTXSID
DTXSID70907774
물성
물리화학적 성질
- 끓는 점
- 857.3 · 857.3±65.0 °C(Predicted)
- 밀도
- 1.76 · 1.76±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.92 · 12.92±0.70(Predicted)
화학 및 산업
응용 분야
용도Validamycin B is a an antibiotic and potential fungicide in the treatment and protection of rice plants against sheath blight.
공급사1 곳
BOC Sciences16314854226; +8616314854226 · [email protected]
추가 설명
정의ChEBI: A member of the class of validamycins that is validamycin A in which the pro-R hydrogen at the unsubstituted position of the cycloxexane ring has been replaced by a hydroxy group.
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