기본 정보
- 표준 SMILES
O=C[C@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CO- InChIKey
HDKHYSDETIRMHM-CDGFVBQXSA-N- 분자식
- C24H42O21
- 평균 분자량
- 666.6 g/mol
- 단동위원소 질량
- 666.22185834
이름 및 식별자
- 우선 이름
- 63-O-alpha-D-Glucosylmaltotriose
- IUPAC
- (2R,3R,4R,5R)-4-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-2,3,5,6-tetrahydroxyhexanal
- 현지명
- 포도당사당류
- 영어명
- glucose tetrasaccharide
- 분자식
- C24H42O21
- 분자량
- 666.58
이름 및 동의어
35175-16-7Glucose tetrasaccharide(Glc)463-O-alpha-D-GlucosylmaltotrioseD-Glucose, O-alpha-D-glucopyranosyl-(1-6)-O-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-RefChem:914089Tetraglucoside(2R,3R,4R,5R)-4-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-2,3,5,6-tetrahydroxyhexanalGlc a1-6 Glc a1-4 Glc a1-4 Glc6''-a-D-Glucosyl-maltotrioseorb2941429SCHEMBL9143273
이름 더 보기
포도당사당류Glcα1-6Glcα1-4Glcα1-4Glc63-α-Glucosylmaltotriose63-α-D-Glucosyl-maltotrioseTetraglucoside Discontinued See: G4191006''-O-(α-D-Glucopyranosyl)-D-maltotriose6'''-O-(α-D-Glucopyranosyl)-D-maltotrioseO-α-D-Glucopyranosyl-(1,6)-O-α-D-glucopyranosyl-(1,4)-O-α-D-glucopyranosyl-(1,4)-D-Glucose, O-α-D-glucopyranosyl-(1→6)-O-α-D-glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-(2S,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol(2R,3R,4R,5R)-4-(((2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxyMethyl)-5-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxyMethyl)tetrahydro-2H-pyran-2-yl)oxy)Methyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)
DTXSID00956619CHEBI:196979HDKHYSDETIRMHM-CDGFVBQXSA-NTSW-00603HY-W699750OG03873Glcalpha 1-6 Glcalpha 1-4 Glcalpha 1-4 GlcHexopyranosyl-(1->6)hexopyranosyl-(1->4)hexopyranosyl-(1->4)hexose
데이터베이스 식별자
- CAS
35175-16-7- PubChem CID
- 189098
- DTXSID
DTXSID00956619- ChEBI
CHEBI:196979- Nikkaji
- J1.078.573A
물성
구조 계산 물성
- XLogP
- -9.3
- 극성 표면적
- 356 Ų
- 수소 결합 공여자 수
- 14
- 수소 결합 수용자 수
- 21
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 901
물리화학적 성질
- 끓는 점
- 1112.9 · 1112.9±65.0 °C(Predicted)
- 밀도
- 1.79 · 1.79±0.1 g/cm3(Predicted)
- 저장 조건
- room temp
- 물리적 상태
- powder
- 산도 계수 (pKa)
- 12.39 · 12.39±0.20(Predicted)
- 색상
- white
- InChIKey
- FPBCRLIOSBQLHS-QVTSYAGHSA-N
안전 및 규제
안전 데이터
- wgk
- 3
- HS 번호
- 2940000080
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Glucose tetrasaccharide is used for food, cosmetics, and pharmaceutical applications.
공급사16 곳
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