기본 정보
- CAS
5340-95-4- 표준 SMILES
OC[C@H]1O[C@H](OC[C@H]2OC(O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O- InChIKey
DLRVVLDZNNYCBX-ABXHMFFYSA-N- 분자식
- C12H22O11
- 평균 분자량
- 342.3 g/mol
- 단동위원소 질량
- 342.11621151
개요
Melibiose is a glycosylglucose formed by an alpha-(16)-linkage between D-galactose and D-glucose. It has a role as a mouse metabolite, a Saccharomyces cerevisiae metabolite, a plant metabolite, an Escherichia coli metabolite and an elastin-laminin receptor agonist.
이름 및 식별자
- 우선 이름
- Melibiose
- IUPAC
- (3R,4S,5S,6R)-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
- 현지명
- 멜리비오스
- 영어명
- Melibiose
- 분자식
- C12H22O11
- 분자량
- 342.3
이름 및 동의어
melibiose6-O-(alpha-D-Galactopyranosyl)-D-glucopyranoseCHEBI:28053GlyTouCan:G09165XBD-Glucose, 6-O-alpha-D-galactopyranosyl-alpha-D-galactopyranosyl-1-6-D-glucopyranoseRefChem:810887DTXCID901437192G09165XB(2R,3R,4S,5S)-6-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxymethyl)oxane-2,3,4,5-tetrol(3R,4S,5S,6R)-6-((((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)methyl)oxane-2,3,4,5-tetrol(3R,4S,5S,6R)-6-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxymethyl)oxane-2,3,4,5-tetrol
이름 더 보기
멜리비오스D-Glucopyranose, 6-O-α-D-galactopyranosyl-
209-568-6585-99-99B1VBE526ID-MelibioseDTXSID101014653NSC-2028D-(+)-MelibioseD-mellibiose
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- -4.7
- 극성 표면적
- 190 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 382
실험 및 물리화학적 성질
CosmeticsCosmetic ingredients (Melibiose) -> CIR (Cosmetic Ingredient Review)
Collision Cross Section
174.8 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
176.8 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
181.14 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field]
177.3 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
164.96 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
178 Ų [M-H]-
물리화학적 성질
- 끓는 점
- 662.8 · 662.8±55.0 °C(Predicted)
- 밀도
- 1.76 · 1.76±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.1 · 12.10±0.70(Predicted)
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% (3 of 3) of all reports.
Not Classified
Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesNot Classified
독성 정보
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
화학 및 산업
용도 및 제조
UsesCIR ingredient: Melibiose
공급사1 곳
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
관련 반응
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