벤질N-아세틸-4,6-O-벤질리덴-α-이소무라믹산
(2S)-2-[[(4Ar,6S,7R,8R,8aS)-7-acetamido-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]propanoic acid
기본 정보
- CAS
730911-70-3- 표준 SMILES
CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@@H]2COC(c3ccccc3)O[C@H]2[C@@H]1O[C@@H](C)C(=O)O- InChIKey
JPPMVSNCFXDOJX-WAUMRMSNSA-N- 분자식
- C25H29NO8
- 평균 분자량
- 471.5 g/mol
- 단동위원소 질량
- 471.18931688
이름 및 식별자
- 우선 이름
- (2S)-2-[[(4Ar,6S,7R,8R,8aS)-7-acetamido-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]propanoic acid
- IUPAC
- (2S)-2-[[(4aR,6S,7R,8R,8aS)-7-acetamido-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]propanoic acid
- 현지명
- 벤질N-아세틸-4,6-O-벤질리덴-α-이소무라믹산
- 영어명
- Benzyl N-Acetyl-4,6-O-benzylidene-α-isoMuraMic Acid
- 분자식
- C25H29NO8
- 분자량
- 471.5
이름 및 동의어
730911-70-3(2S)-2-[[(4Ar,6S,7R,8R,8aS)-7-acetamido-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]propanoic acidBenzyl N-acetyl-4,6-O-benzylidene-alpha-isomuramic acid(2S)-2-(((4AR,6S,7R,8R,8aS)-7-acetamido-6-(benzyloxy)-2-phenylhexahydropyrano[3,2-d][1,3]dioxin-8-yl)oxy)propanoic acidBenzyl N-Acetyl-4,6-O-benzylidene-a-isomuramic Acidorb2941386DTXSID70370621TSW-00646N-Acetyl-1-O-(phenylmethyl)-4,6-O-(phenylmethylene)-a-isomuramic acidMB16622FT-0662662Benzyl N-Acetyl-4,6-O-benzylidene-?-D-muramic Acid
이름 더 보기
벤질N-아세틸-4,6-O-벤질리덴-α-이소무라믹산Benzyl N-Acetyl-4,6-O-benzylidene-α-isomuramic AcidN-Acetyl-1-O-(phenylMethyl)-4,6-O-(phenylMethylene)-α-isoMuraMic Acidα-Isomuramic acid, N-acetyl-1-O-(phenylmethyl)-4,6-O-(phenylmethylene) (9CI)
N-Acetyl-1-O-(phenylmethyl)-4,6-O-(phenylmethylene)-alpha-isomuramic AcidBenzyl 2-acetamido-4,6-O-benzylidene-3-O-[(1S)-1-carboxyethyl]-2-deoxy-alpha-D-glucopyranoside
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 113 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 678
물리화학적 성질
- 끓는 점
- 717.669 · 717.669±60.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.319 · 1.319±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 3.334 · 3.334±0.10(predicted)
화학 및 산업
응용 분야
용도A derivative of isomuramic acid.
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