기본 정보
- CAS
210418-18-1- 표준 SMILES
CC(=O)NC1[C@H]([C@H](O)[C@H](O)CO)O[C@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]3CO)[C@@H]2O)(C(=O)O)C[C@@H]1O- InChIKey
GVXWGQLSDZJHFY-RMKBUKBJSA-N- 분자식
- C25H42N2O19
- 평균 분자량
- 674.6 g/mol
- 단동위원소 질량
- 674.23817711
이름 및 식별자
- 우선 이름
- (2R,4S,6R)-5-acetamido-2-((2S,3R,4S,5S,6R)-2-((2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxy-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
- IUPAC
- (2R,4S,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
- 영어명
- Neu5Ac2-β-3Gal1-β-4GlcNAc
- 분자식
- C25H42N2O19
- 분자량
- 674.6
이름 및 동의어
210418-18-1(2R,4S,6R)-5-Acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acidDTXSID20858388(2R,4S,6R)-5-acetamido-2-((2S,3R,4S,5S,6R)-2-((2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxy-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)oxane-2-carboxylic acidRefChem:934746GlyTouCan:G89670TDDTXCID30809129G89670TD3'-b-Sialyl-N-acetyllactosamineNeu5Ac2-beta-3Gal1-beta-4GlcNAcNeu5Ac2-b-3Gal1-b-4GlcNAc3'-beta-Sialyl-N-acetyllactosamine
이름 더 보기
3'-β-Sialyl-N-acetyllactosamineD-Glucose, O-(N-acetyl-β-neuraminosyl)-(2→3)-O-β-D-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy- (9CI)
OS06118(2R,4S,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid(5xi)-5-Acetamido-3,5-dideoxy-beta-D-gluco-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucopyranose
물성
구조 계산 물성
- XLogP
- -7.2
- 극성 표면적
- 344 Ų
- 수소 결합 공여자 수
- 13
- 수소 결합 수용자 수
- 19
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 46
- 형식 전하
- 0
- 복잡도
- 1,050
물리화학적 성질
- 끓는 점
- 1194.7 · 1194.7±65.0 °C(Predicted)
- 밀도
- 1.66 · 1.66±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C Freezer
- 용해도
- 물(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 1.92 · 1.92±0.70(Predicted)
- 색상
- 흰색에서 황백색까지
화학적 성질
Off-White Solid
화학 및 산업
응용 분야
용도3''-β-Sialyl-N-acetyllactosamine (cas# 210418-18-1) is a compound useful in organic synthesis.
공급사5 곳
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