기본 정보
- CAS
19229-57-3- 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-BKIFYLKZSA-N- 분자식
- C25H29NO8
- 평균 분자량
- 471.5 g/mol
이름 및 식별자
- 우선 이름
- (2R)-2-(((4aR,6S,7R,8R,8aS)-7-Acetamido-6-(benzyloxy)-2-phenylhexahydropyrano[3,2-d][1,3]dioxin-8-yl)oxy)propanoic acid
- IUPAC
- (2R)-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
- 영어명
- Ac-alpha-benzyl-4,6-O-benzylidene-muramic acid
- 분자식
- C25H29NO8
- 분자량
- 471.5
이름 및 동의어
2862-03-5ALPHA-BENZYL-4,6-O-BENZYLIDENE-MURAMIC ACID19229-57-3(2R)-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-D-MURAMIC ACID(2R)-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-D-muramic AcidBenzyl N-acetyl-4,6-O-benzylidenemuramic acidC25H29NO8MFCD00057299Ac-alpha-benzyl-4,6-O-benzylidene-muramic acidMaybridge1_006410
이름 더 보기
Benzyl-4,6-o-benzylidene-N-acetyl-α-muramic acidN-acetyl-O1-benzyl-O4,O6-(R)-benzylidene-β-muramic acidβ-Muramic acid, N-acetyl-1-O-(phenylmethyl)-4,6-O-(phenylmethylene)- (9CI)BENZYL-2-ACETAMIDO-4,6-O-BENZYLIDENE-3-O-[1-(R)-CARBOXYETHYL]-2-DEOXY-ALPHA-D-GLUCOPYRANOSIDE(2R)-2-(((4aR,6R,7R,8R,8aS)-7-Acetamido-6-(benzyloxy)-2-phenylhexahydropyrano[3,2-d][1,3]dioxin-8-yl)oxy)propanoic acid2-[(7-amino-6-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl)oxy]-2-methyl-3-phenylpropanoic acid
orb2941863SCHEMBL8332499HMS559L08(2R)-2-(((4aR,7R,8R,8aS)-7-Acetamido-6-(benzyloxy)-2-phenylhexahydropyrano[3,2-d][1,3]dioxin-8-yl)oxy)propanoic acid74842-55-0HY-W007017ACCG-40765MFCD00831772
데이터베이스 식별자
- CAS
19229-57-3- Nikkaji
- J1.585.903B
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
- 녹는점
- 220 · 220-222°C
- 끓는 점
- 717.7 · 717.7±60.0 °C(Predicted)
- 밀도
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 3.33 · 3.33±0.10(Predicted)
화학 및 산업
공급사11 곳
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