기본 정보
- CAS
101627-01-4- 표준 SMILES
CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@@H]1O- InChIKey
NNISLDGFPWIBDF-MPRBLYSKSA-N- 분자식
- C20H35NO16
- 평균 분자량
- 545.5 g/mol
개요
Alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-D-GlcNAc is an amino trisaccharide consisting of two D-galactose residues, linked alpha(13), and an N-acetyl-D-glucosamine residue, linked beta(14), at the reducing end. It has a role as an allergen. It is a glucosamine oligosaccharide and an amino trisaccharide.
이름 및 식별자
- 우선 이름
- alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-D-GlcNAc
- IUPAC
- N-[(3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
- 현지명
- 선형B삼당류
- 영어명
- LinearBtrisaccharide
- 분자식
- C20H35NO16
- 분자량
- 545.49
이름 및 동의어
alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-D-GlcNAcCHEBI:18217N-[(3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamideN-((3R,4R,5S,6R)-5-((2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxan-2-yl)oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl)acetamideRefChem:617152GlyTouCan:G27798EJG27798EJalphaGal1-3betaGal1-4GlcNAcGalalpha1-3Galbeta1-4GlcNAc101627-01-4alpha-D-Galp-(1->3)-beta-D-Galp-(1->4)-D-GlcNAcEpitope ID:141496
이름 더 보기
선형B삼당류Xeno antigen type 2 / Galili antigen triose (>90% NMR)β-D-Glucopyranose, O-α-D-galactopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-
SCHEMBL6806198Gal(a1-3)Gal(b1-4)GlcNAcgal-alpha-1,3-gal-beta-1,4-GlcNAcQ27102913O_FULL_21000000000000_GS_485_c3O-alpha-D-Galactopyranosyl-(1-3)-O-beta-D-galactopyranosyl-(1-4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose
물성
구조 계산 물성
- XLogP
- -6.3
- 극성 표면적
- 278 Ų
- 수소 결합 공여자 수
- 11
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 747
물리화학적 성질
- 끓는 점
- 998.1 · 998.1±65.0 °C(Predicted)
- 밀도
- 1.71 · 1.71±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.93 · 11.93±0.70(Predicted)
화학 및 산업
공급사6 곳
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
BOC Sciences16314854226 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…