기본 정보
- CAS
85054-29-1- 표준 SMILES
CC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@H](OCc3ccccc3)[C@@H]2NC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O- InChIKey
PDUCTQVLENQXGA-HFJKPWESSA-N- 분자식
- C23H34N2O11
- 평균 분자량
- 514.5 g/mol
- 단동위원소 질량
- 514.2162599
이름 및 식별자
- 우선 이름
- N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4R,5R,6S)-5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
- IUPAC
- N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4R,5R,6S)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
- 영어명
- Benzyl 2-(AcetylaMino)-3-O-[2-(acetylaMino)-2-deoxy-β-D-glucopyranosyl]-2-deoxy-α-D-galactopyranoside
- 분자식
- C23H34N2O11
- 분자량
- 514.52
이름 및 동의어
85054-29-1N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4R,5R,6S)-5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamideN-((2R,3R,4R,5S,6R)-2-(((2S,3R,4R,5R,6R)-3-Acetamido-2-(benzyloxy)-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)acetamideBenzyl 2-(Acetylamino)-3-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-2-deoxy-alpha-D-galactopyranosidPhenylmethyl 2-(Acetylamino)-3-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-2-deoxy-alpha-D-galactopyranosidebenzyl 2-acetamido-3-O-(2-acetamido-2-deoxy-β-D-glucopyranosyl)-2-deoxy-α-D-galactopyranosideBenzyl 2-(Acetylamino)-3-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-2-deoxy-α-D-galactopyranosideα-D-Galactopyranoside, phenylmethyl 2-(acetylamino)-3-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-2-deoxy-
데이터베이스 식별자
- CAS
85054-29-1
물성
구조 계산 물성
- XLogP
- -2.3
- 극성 표면적
- 196 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 722
물리화학적 성질
- 끓는 점
- 883.335 · 883.335±65.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.446 · 1.446±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 용해도
- 에 용해됨메탄올, 물
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 12.86 · 12.860±0.70(predicted)
- 색상
- 하얀색
화학적 성질
White Solid
화학 및 산업
응용 분야
용도Oligosaccharide widely distributed in the human digestive tract.
공급사6 곳
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