기본 정보
- CAS
224044-68-2- 표준 SMILES
COC(=O)/C=C/C(=O)c1cccc(O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c1[N+](=O)[O-]- InChIKey
GZEJVMGQFOJCDQ-WHIUSNHVSA-N- 분자식
- C25H27NO15
- 평균 분자량
- 581.5 g/mol
- 단동위원소 질량
- 581.13806915
이름 및 식별자
- 우선 이름
- (2E)-4-[2-Nitro-3-[(2,3,4,6-tetra-O-acetyl-b-D-glucopyranosyl)oxy]phenyl]-4-oxo-2-butenoic Acid Methyl Ester
- IUPAC
- methyl (E)-4-[2-nitro-3-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenyl]-4-oxobut-2-enoate
- 영어명
- (2E)-4-[2-Nitro-3-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]phenyl]-4-oxo-2-butenoic Acid Methyl Ester
- 분자식
- C25H27NO15
- 분자량
- 581.48
이름 및 동의어
224044-68-2(2E)-4-[2-Nitro-3-[(2,3,4,6-tetra-O-acetyl-b-D-glucopyranosyl)oxy]phenyl]-4-oxo-2-butenoic Acid Methyl Estermethyl (E)-4-[2-nitro-3-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenyl]-4-oxobut-2-enoateDTXSID60472966(2E)-4-[2-NITRO-3-[(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)OXY]PHENYL]-4-OXO-2-BUTENOIC ACID METHYL ESTERMN16816DB-222685FT-0673007Methyl (2E)-4-{2-nitro-3-[(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy]phenyl}-4-oxobut-2-enoatemethyl (E)-4-oxo-4--2-butenoate(2E)-4-[2-Nitro-3-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]phenyl]-4-oxo-2-butenoic Acid Methyl Ester2-Butenoic acid, 4-[2-nitro-3-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]phenyl]-4-oxo-, methyl ester, (2E)-
이름 더 보기
(2E)-4-[2-Nitro-3-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]phenyl]-4-oxo-2-butenoic Acid Methyl Ester, CAS 224044-68-2
물성
구조 계산 물성
- XLogP
- 1.1
- 극성 표면적
- 213 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 1,050
물리화학적 성질
- 끓는 점
- 672.285 · 672.285±55.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.414 · 1.414±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 용해도
- 에 용해됨아세톤, 클로로포름, 디클로로메탄
화학 및 산업
응용 분야
용도(2E)-4-[2-Nitro-3-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]phenyl]-4-oxo-2-butenoic Acid Methyl Ester is used in the preparation of human UV filters.
공급사5 곳
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
BOC Sciences16314854226 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
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