기본 정보
- CAS
38864-21-0- 표준 SMILES
CC(=O)N[C@H]1[C@H](O[C@@H]([C@H](O)[C@H](C=O)NC(C)=O)[C@H](O)CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O- InChIKey
LRDDKCYRFNJZBX-WHFMPQCRSA-N- 분자식
- C24H41N3O16
- 평균 분자량
- 627.6 g/mol
- 단동위원소 질량
- 627.24868223
개요
Tri-N-acetylchitotriose is a N-acyl-hexosamine.
이름 및 식별자
- 우선 이름
- N,N',N''-Triacetylchitotriose
- IUPAC
- N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
- 영어명
- N,N',N''-Triacetylchitotriose
- 분자식
- C24H41N3O16
- 분자량
- 627.59
이름 및 동의어
N,N',N''-triacetylchitotriose38864-21-0Tris(N-acetylglucosamine)N,N',N''-Triacetyl chitotriose(G1cNAC)3N,N',N''-TriacetylchitintriosetriGlcNAcO-2-(Acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyran osyl-(1-4)-2-(acetylamino)-2-deoxy-D-glucoseO-2-Acetamido-2-deoxy-beta-D-glucopyranosyl-(1-4)-O-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1-4)-2-acetamido-2-deoxy-D-glucopyranosetri-GlcNAcRefChem:160885tri-n-acetylchitotriose
이름 더 보기
CHITOTRIOSE[(GlcNAc)3]ChitintrioseTri(N-acetylglucosaMine)N-acetylated ChitotrioseGlcNAcβ-4GlcNAcβ-4GlcNAcCHITOTRIOSE, TRI-N-ACETYLN-AcetylglucosaMine TriMerTriacetyl-Chitotriose 30mgWZZVUHWLNMNWLW-RSGPGLJDSA-N
N-AcetylchitotrioseN,N,N-TriacetylchitotrioseTri(N-acetyl-D-glucosamine)Chitot riose triacetateN-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamideN-((2S,3R,4R,5S,6R)-2-(((2R,3S,4R,5R)-5-Acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl)oxy)-5-(((2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)acetamideN,N inverted exclamation marka,N inverted exclamation marka inverted exclamation marka-TriacetylchitotrioseC24H41N3O16
물성
구조 계산 물성
- XLogP
- -7.2
- 극성 표면적
- 303 Ų
- 수소 결합 공여자 수
- 11
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 944
실험 및 물리화학적 성질
Chemical ClassesBiological Agents -> Oligosaccharides
Melting Point304 - 306 °C
Physical Description
White powder; [Sigma-Aldrich MSDS]
Solid
물리화학적 성질
- 녹는점
- 271 · 271-272°C dec.
- 끓는 점
- 1146.9 · 1146.9±65.0 °C(Predicted)
- 밀도
- 1.54 · 1.54±0.1 g/cm3(Predicted)
- 저장 조건
- 20 °C · −20°C
- 용해도
- 2 O: · H2O: 50 mg/mL, 투명하거나 약간 흐릿함, 무색 내지 희미한 노란색
- 산도 계수 (pKa)
- 12.72 · 12.72±0.70(Predicted)
- 물리적 상태
- 고체
- 색상
- 흰색에서 옅은 베이지까지
- 수용성
- 50 mg/mL, · water: 50mg/mL, clear to slightly hazy, colorless to faintly yellow
- BRN
- 75249 · 75249
- InChIKey
- LRDDKCYRFNJZBX-KYRVBLBENA-N
- SMILES
- CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)[C@H](O)CO
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]
안전 데이터
- wgk
- 3
- HS 번호
- 29329990
- safety_code
- 24/25
- F 고인화성물질
- 10-21
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
UsesUsed for affinity chromatography of potato lectin when coupled to Sepharose. [ChemIDplus]
응용 분야
용도N,N',N''-Triacetylchitotriose is a triose oligosaccharide derived from chitin, consisting of three N-acetylglucosamine units. It has been shown to scavenge reactive oxygen species and to protect DNA from oxidative damage.
공급사56 곳
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海惠诚生物科技有限公司60498804 18930850192 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
武汉易泰科技有限公司上海分公司
관련 반응
1건
화합물 노트
불러오는 중…