기본 정보
- CAS
28713-39-5- 표준 SMILES
CC1(C)O[C@H]2O[C@H]([C@@H](CO)OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2O1- InChIKey
IVZNWPGMXKJSDA-QMCAAQAGSA-N- 분자식
- C23H28O6
- 평균 분자량
- 400.5 g/mol
- 단동위원소 질량
- 400.18858861
이름 및 식별자
- 우선 이름
- Tribenoside EP Impurity B
- IUPAC
- (2R)-2-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-phenylmethoxyethanol
- 영어명
- Tribenoside EP Impurity B
- 분자식
- C23H28O6
- 분자량
- 400.46
이름 및 동의어
28713-39-5UR9LBA3UTQTribenoside EP Impurity B(R)-2-(Benzyloxy)-2-((3aR,5R,6S,6aR)-6-(benzyloxy)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethan-1-olUNII-UR9LBA3UTQTribenoside impurity B [EP]1,2-O-(1-Methylethylidene)-3,5-bis-O-(phenylmethyl)-alpha-D-glucofuranose3,5-Di-o-benzyl-1,2-O-(1-methylethylidene)-alpha-D-glucofuranosealpha-D-Glucofuranose, 1,2-O-(1-methylethylidene)-3,5-bis-O-(phenylmethyl)-(2R)-2-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-phenylmethoxyethanol(R)-2-(benzyloxy)-2-((3aR,5R,6S,6aR)-6-(benzyloxy)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethanol1,2-O-(1-Methylethylidene)-3,5-bis-O-(phenylmethyl)-?-D-glucofuranose
이름 더 보기
Tribenzyl glycoside EP Impurity BTribenoside Impurity 2（Tribenoside EP Impurity B）3,5-di-O-benzyl-1,2-O-isopropylidene-α-D-glucofuranoseα-D-Glucofuranose, 1,2-O-(1-methylethylidene)-3,5-bis-O-(phenylmethyl)-Tribenoside EP Impurity BQ: What is Tribenoside EP Impurity B Q: What is the CAS Number of Tribenoside EP Impurity B
668993-05-3SCHEMBL6275240TRIBENOSIDE IMPURITY B [EP IMPURITY]H84599"3',5'-Di-O-benzyl-1,2-O-(1-methylethylidene)-alpha-D-glucofuranose"3',5'-Di-O-benzyl-1,2-O-(1-methylethylidene)-alpha-D-glucofuranose.ALPHA.-D-GLUCOFURANOSE, 1,2-O-(1-METHYLETHYLIDENE)-3,5-BIS-O-(PHENYLMETHYL)-1,2-O-(1-METHYLETHYLIDENE)-3,5-BIS-O-(PHENYLMETHYL)-.ALPHA.-D-GLUCOFURANOSE
데이터베이스 식별자
- CAS
28713-39-5- PubChem CID
- 11732121
- UNII
- UR9LBA3UTQ
- Nikkaji
- J896.006B
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 66.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 500
물리화학적 성질
- 끓는 점
- 534.4 · 534.4±50.0 °C(Predicted)
- 밀도
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 14.16 · 14.16±0.10(Predicted)
화학 및 산업
응용 분야
용도1,2-O-(1-Methylethylidene)-3,5-bis-O-(phenylmethyl)-α-D-glucofuranose is an impurity of Tribenoside (T945630), which is a vasoprotective drug. It’s used in the treatment of hemorrhoids as it has mild anti-inflammatory and wound healing properties.
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