기본 정보
- CAS
1268248-67-4- 표준 SMILES
CCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O- InChIKey
MFYBEBGCQUYASP-DSGSWEBPSA-N- 분자식
- C28H51NO16
- 평균 분자량
- 657.7 g/mol
- 단동위원소 질량
- 657.32078454
이름 및 식별자
- 우선 이름
- Octyl 2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->2)-beta-D-glucopyranoside
- IUPAC
- N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-octoxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
- 영어명
- Octyl O-2-(acetylaMino)-2-deoxy-β-D-glucopyranosyl-(1→2)-O-α-D-Mannopyranosyl-(1→2)-D-Glucopyranoside
- 분자식
- C28H51NO16
- 분자량
- 657.7
이름 및 동의어
1268248-67-4N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-octoxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamideOctyl 2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->2)-beta-D-glucopyranosideDTXSID30858218OO16826GlcNAc(b1-2)Man(a1-2)Glc-O-oct ylOctyl O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-2-O-alpha-D-mannopyranosyl-2-D-GlucopyranosideOCTYL 2-ACETAMIDO-2-DEOXY-B-D-GLUCOPYRANOSYL-(1-2)-A-D-MANNOPYRANOSYL-(1-2)-B-D-GLUCOPYRANOSIDEOctyl O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1?2)-O-a-D-mannopyranosyl-(1?2)-D-glucopyranosideGlcNAc(β1-2)Man(α1-2)Glc-O-octylOctyl O-2-(acetylaMino)-2-deoxy-β-D-glucopyranosyl-2-O-α-D-Mannopyranosyl-2-D-GlucopyranosideOctyl O-2-(acetylaMino)-2-deoxy-β-D-glucopyranosyl-(1→2)-O-α-D-Mannopyranosyl-(1→2)-D-Glucopyranoside
이름 더 보기
D-Glucopyranoside, octyl O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→2)-O-α-D-mannopyranosyl-(1→2)-
데이터베이스 식별자
- CAS
1268248-67-4- PubChem CID
- 71751205
- DTXSID
DTXSID30858218
물성
구조 계산 물성
- XLogP
- -1.8
- 극성 표면적
- 267 Ų
- 수소 결합 공여자 수
- 10
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 872
물리화학적 성질
- 끓는 점
- 937.7 · 937.7±65.0 °C(Predicted)
- 밀도
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.84 · 12.84±0.70(Predicted)
화학 및 산업
응용 분야
용도Octyl O-2-(acetylaMino)-2-deoxy-β-D-glucopyranosyl-2-O-α-D-Mannopyranosyl-2-D-Glucopyranoside is a trisaccharide substrate used in the study of substrate specificities and catalytic properties of the sister N-acetylglucosaminyltransferases, GnT-V and GnT-Vb.
공급사5 곳
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