O-(N-acetyl-alpha-neuraminosyl)-(2->6)-O-[O-(N-acetyl-alpha-neuraminosyl)-(2->3)-beta-delta-galactopyranosyl-(1->3)]-O-2-(acetylamino)-2-deoxy-beta-delta-glucopyranosyl-(1->3)-O-beta-delta-galactopyranosyl-(1->4)-O-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-D-Glucose
기본 정보
- CAS
127783-56-6- 표준 SMILES
CC(=O)NC1C(O)CC(OCC2OC(OC3C(O)C(CO)OC(OC(C(O)CO)C(OC4OC(C)C(O)C(O)C4O)C(O)C=O)C3O)C(NC(C)=O)C(OC3OC(CO)C(O)C(OC4(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O4)C3O)C2O)OC1C(O)C(O)CO- InChIKey
KJKXUFHSXFKOSF-UHFFFAOYSA-N- 분자식
- C53H89N3O39
- 평균 분자량
- 1,392.3 g/mol
- 단동위원소 질량
- 1,391.50732
이름 및 식별자
- 우선 이름
- O-(N-acetyl-alpha-neuraminosyl)-(2->6)-O-[O-(N-acetyl-alpha-neuraminosyl)-(2->3)-beta-delta-galactopyranosyl-(1->3)]-O-2-(acetylamino)-2-deoxy-beta-delta-glucopyranosyl-(1->3)-O-beta-delta-galactopyranosyl-(1->4)-O-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-D-Glucose
- IUPAC
- 5-acetamido-2-[2-[5-acetamido-2-[[5-acetamido-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl]oxymethyl]-6-[3,5-dihydroxy-2-(hydroxymethyl)-6-[1,2,5-trihydroxy-6-oxo-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyhexan-3-yl]oxyoxan-4-yl]oxy-3-hydroxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
이름 및 동의어
O-(N-acetyl-alpha-neuraminosyl)-(2->6)-O-[O-(N-acetyl-alpha-neuraminosyl)-(2->3)-beta-D-galactopyranosyl-(1->3)]-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)-O-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]- D-GlucoseO-(N-acetyl-alpha-neuraminosyl)-(2->6)-O-[O-(N-acetyl-alpha-neuraminosyl)-(2->3)-beta-delta-galactopyranosyl-(1->3)]-O-2-(acetylamino)-2-deoxy-beta-delta-glucopyranosyl-(1->3)-O-beta-delta-galactopyranosyl-(1->4)-O-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]- D-Glucose
데이터베이스 식별자
- CAS
127783-56-6- PubChem CID
- 22833677
물성
구조 계산 물성
- XLogP
- -14.2
- 극성 표면적
- 677 Ų
- 수소 결합 공여자 수
- 25
- 수소 결합 수용자 수
- 39
- 회전 가능 결합 수
- 30
- 무거운 원자 수
- 95
- 형식 전하
- 0
- 복잡도
- 2,450
실험 및 물리화학적 성질
Physical DescriptionSolid
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