기본 정보
- CAS
948295-15-6- 표준 SMILES
CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO[C@@]2(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)O[C@@H]1O- InChIKey
CZOGCRVBCLRHQJ-NAFGUXDZSA-N- 분자식
- C19H32N2O14
- 평균 분자량
- 512.5 g/mol
- 단동위원소 질량
- 512.1853537
개요
N-acetyl-beta-neuraminyl-(2->6)-N-acetyl-alpha-D-galactosamine is an amino disaccharide composed of N-acetylneuraminic acid and N-acetyl-alpha-D-galactosamine residues linked (26). It has a role as an epitope. It is an amino disaccharide and a galactosamine oligosaccharide.
이름 및 식별자
- 우선 이름
- N-acetyl-beta-neuraminyl-(2->6)-N-acetyl-alpha-D-galactosamine
- IUPAC
- (2S,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4R,5R,6S)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
- 영어명
- 2-acetaMido-2-deoxy-6-O-Sialyl-D-galactopyranoside (Sia--2,6-GalNAc)
- 분자식
- C19H32N2O14
- 분자량
- 512.47
이름 및 동의어
CHEBI:71557N-acetyl-beta-neuraminyl-(2->6)-N-acetyl-alpha-D-galactosamineGlyTouCan:G08244HVRefChem:1048433G08244HV(5-acetamido-3,5-dideoxy-D-glycero-beta-D-galacto-nonulopyranosylonic acid)-(2->6)-2-acetamido-2-deoxy-alpha-D-galactopyranose;5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-2-acetamido-2-deoxy-alpha-D-galactopyranoseNeu5Acbeta2-6GalNAcalphabeta-N-acetylneuraminyl-(2->6)-N-acetyl-alpha-D-galactosamine(5-acetamido-3,5-dideoxy-D-glycero-beta-D-galacto-nonulopyranosylonic acid)-(2->6)-2-acetamido-2-deoxy-alpha-D-galactopyranose5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-2-acetamido-2-deoxy-alpha-D-galactopyranoseNeu5Acb2-6GalNAcaEpitope ID:423178
이름 더 보기
2-acetaMido-2-deoxy-6-O-Sialyl-D-galactopyranoside (Sia--2,6-GalNAc)α-D-Galactopyranose, 2-(acetylamino)-6-O-(N-acetyl-β-neuraminosyl)-2-deoxy-(2S,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4R,5R,6S)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
물성
구조 계산 물성
- XLogP
- -5.6
- 극성 표면적
- 265 Ų
- 수소 결합 공여자 수
- 10
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 770
물리화학적 성질
- 끓는 점
- 1045.5 · 1045.5±65.0 °C(Predicted)
- 밀도
- 1.63 · 1.63±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 2.01 · 2.01±0.70(Predicted)
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…