Disialo-Asn
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기본 정보
- CAS
68141-38-8- 표준 SMILES
CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO[C@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO[C@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1NC(=O)C[C@H](N)C(=O)O- InChIKey
RWCNHWQYVXEFPZ-AJHWVAAXSA-N- 분자식
- C88H144N8O64
- 평균 분자량
- 2,338.1 g/mol
이름 및 식별자
- 우선 이름
- Disialo-Asn
- IUPAC
- (2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2S,3S,4S,5S,6R)-2-[[(2R,3R,4S,5S,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6R)-5-acetamido-6-[[(3S)-3-amino-3-carboxypropanoyl]amino]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,5R,6R)-6-[[(2R,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
- 영어명
- SGN
- 분자식
- C88H144N8O64
- 분자량
- 2338.11
이름 및 동의어
Disialo-AsnDA-62919HY-148389CS-0621234G0560SGNG2-AsnNeu5Ac alpha(2-6)Gal beta(1-4)GlcNAc beta(1-2)Man alpha(1-3)[Neu5Ac alpha(2-6)Gal beta(1-4)GlcNAc beta(1-2)Man alpha(1-6)]Man beta(1-4)GlcNAc beta(1-4)GlcNAc-beta-AsnL-Asparagine, N-[O-(N-acetyl-α-neuraminosyl)-(2→6)-O-β-D-galactopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→2)-O-α-D-mannopyranosyl-(1→3)-O-[O-(N-acetyl-α-neuraminosyl)-(2→6)-O-β-D-galactopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→2)-α-D-mannopyranosyl-(1→6)]...
데이터베이스 식별자
- CAS
68141-38-8
물성
구조 계산 물성보충 중
- XLogP
- -27.3
- 극성 표면적
- 1,140 Ų
- 수소 결합 공여자 수
- 41
- 수소 결합 수용자 수
- 65
- 회전 가능 결합 수
- 47
- 무거운 원자 수
- 160
- 형식 전하
- 0
- 복잡도
- 4,750
물리화학적 성질
- 밀도
- 1.77 · 1.77±0.1 g/cm3(Predicted)
관련 반응
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