Disialyllacto-N-fucopentaose II
기본 정보
- CAS
127783-55-5- 표준 SMILES
CC(=O)N[C@H]1[C@H](OC2[C@@H](O)[C@H](O[C@@H]([C@H](O)[C@@H](O)C=O)[C@H](O)CO)O[C@H](CO)[C@@H]2O)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)[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)C2O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@]2(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)[C@H]1O- InChIKey
KNWXPODBRXAWBX-PFNBIPCHSA-N- 분자식
- C54H89N3O41
- 평균 분자량
- 1,436.3 g/mol
- 단동위원소 질량
- 1,435.4971492
이름 및 식별자
- 우선 이름
- Disialyllacto-N-fucopentaose II
- IUPAC
- (2R,4S,5R,6R)-5-acetamido-2-[[(2R,3S,4R,5R,6S)-5-acetamido-4-[(2R,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxyoxan-4-yl]oxy-3-[(2S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
이름 및 동의어
Disialyllacto-N-fucopentaose II127783-55-5DSLNFP-IISCHEMBL29454799(2S,4S,5R,6R)-5-acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-2-[[(2R,4S,5R,6R)-5-acO-(N-acetyl-alpha-neuraminosyl)-(2->6)-O-[O-(N-acetyl-alpha-neuraminosyl)-(2->3)-beta-D-galactopyranosyl-(1->3)]-O-[6-deoxy-alpha-L-galactopyranosyl-(1->4)]-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)- D-GlucoseO-(N-acetyl-alpha-neuraminosyl)-(2->6)-O-[O-(N-acetyl-alpha-neuraminosyl)-(2->3)-beta-delta-galactopyranosyl-(1->3)]-O-[6-deoxy-alpha-L-galactopyranosyl-(1->4)]-O-2-(acetylamino)-2-deoxy-beta-delta-glucopyranosyl-(1->3)-O-beta-delta-galactopyranosyl-(1->4)- D-Glucose
데이터베이스 식별자
- CAS
127783-55-5- PubChem CID
- 22833676
물성
구조 계산 물성
- XLogP
- -14.8
- 극성 표면적
- 715 Ų
- 수소 결합 공여자 수
- 26
- 수소 결합 수용자 수
- 41
- 회전 가능 결합 수
- 31
- 무거운 원자 수
- 98
- 형식 전하
- 0
- 복잡도
- 2,610
실험 및 물리화학적 성질
Physical DescriptionSolid
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…