기본 정보
- CAS
17629-30-0- 표준 SMILES
OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O- InChIKey
MUPFEKGTMRGPLJ-ZQSKZDJDSA-N- 분자식
- C18H32O16
- 평균 분자량
- 504.4 g/mol
- 단동위원소 질량
- 504.16903494
개요
Raffinose is a trisaccharide composed of alpha-D-galactopyranose, alpha-D-glucopyranose and beta-D-fructofuranose joined in sequence by 16 and 12 glycosidic linkages, respectively. It has a role as a mouse metabolite, a Saccharomyces cerevisiae metabolite and a plant metabolite. It is a trisaccharide and a raffinose family oligosaccharide.
이름 및 식별자
- 우선 이름
- Raffinose
- IUPAC
- (2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
- 영어명
- D(+)-Raffinose pentahydrate
- 분자식
- C18H42O21
- 분자량
- 594.51
이름 및 동의어
RAFFINOSEMelitose512-69-6D-RaffinoseGossyposeMelitriose6G-alpha-D-galactosylsucroseRaffinose, pureN5O3QU595MDTXSID8041111CHEBI:16634NSC-2025
이름 더 보기
RAFFINOSE PENTAHYDRATED-(+)-RAFFINOSED-RAFFINOSE PENTAHYDRATEβ-D-fructofuranosideD-(+)-RAFFINOSE PENTAHYDRATERaffinose, 99%+Cottonseed sugarRAFFINOSE, 5-HYDRATED-(+)-Raffinose
alpha-D-Glucopyranoside, beta-D-fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-(2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triolNSC-170228(2S,3R,4S,5R,6R)-2-(((2R,3S,4S,5R,6R)-6-((2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl)oxy-3,4,5-tris(oxidanyl)oxan-2-yl)methoxy)-6-(hydroxymethyl)oxane-3,4,5-triol(2S,3R,4S,5R,6R)-2-(((2R,3S,4S,5R,6R)-6-((2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl)oxy-3,4,5-trihydroxyoxan-2-yl)methoxy)-6-(hydroxymethyl)oxane-3,4,5-triol(2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triolRefChem:9106GlyTouCan:G40178VU
물성
구조 계산 물성
- XLogP
- -5.8
- 극성 표면적
- 269 Ų
- 수소 결합 공여자 수
- 11
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 655
실험 및 물리화학적 성질
Chemical ClassesBiological Agents -> Oligosaccharides
SpringerMaterials PropertiesDensity
Solubility203 mg/mL
Melting Point80 °C
Physical Description
Pentahydrate: Solid; [Merck Index] Solid; [Sigma-Aldrich MSDS]
Solid
Collision Cross Section
208.9 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
209 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
208.72 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field]
210 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine]
197 Ų [M-H]-
210.51 Ų [M+HCOO]-
물리화학적 성질
- 녹는점
- 78 · 78-80 °C
- 끓는 점
- 78 · 78-82℃
- 밀도
- 1.465 · 1.465
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (34 of 34) of all reports.
Not Classified
Aggregated GHS information provided per 34 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory InformationChemical: .alpha.-D-Glucopyranoside, .beta.-D-fructofuranosyl O-.alpha.-D-galactopyranosyl-(1.fwdarw.6)-
Other Safety InformationIMAP assessments - .alpha.-D-Glucopyranoside, .beta.-D-fructofuranosyl O-.alpha.-D-galactopyranosyl-(1.fwdarw.6)-: Human health tier I assessment
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesNot Classified
안전 데이터
- wgk
- 3
- tsca
- Yes
- rtecs
- LZ5851200
- HS 번호
- 29400000
- risk_code
- 36/38
- hazard_code
- Xi
- safety_code
- 24/25-37/39-26
- F 고인화성물질
- 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Tissue LocationsPlatelet
Cellular LocationsCytoplasm
Metabolite PathwaysGalactose Metabolism
용도 및 제조
Uses
A trisaccharide composed of 1 mol each of D-galactose, D-glucose, and D-fructose; Found in Australian manna and cottonseed meal; [Merck Index]
Use (kg; approx.) in Germany (2009): >10
General Manufacturing Information.alpha.-D-Glucopyranoside, .beta.-D-fructofuranosyl O-.alpha.-D-galactopyranosyl-(1.fwdarw.6)-: ACTIVE
응용 분야
개요D-(+)-Raffinose is a trisaccharide composed of galactose, glucose, and fructose that occurs naturally in a variety of vegetables and grains. It is hydrolyzed to galactose and sucrose by α-galactosidase.
제조 방법
생산 방법Raffinose occurs naturally in Australian manna, cottonseed meal, and seeds of various food legumes. It can be isolated from beet sugar molasses through sucrose separation, seed-crystallization, and filtration.
상·하류 제품 정보
상류 원료
공급사101 곳
관련 반응
10건
화합물 노트
불러오는 중…