기본 정보
- CAS
597-12-6- 표준 SMILES
OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O- InChIKey
QWIZNVHXZXRPDR-WSCXOGSTSA-N- 분자식
- C18H32O16
- 평균 분자량
- 504.4 g/mol
- 단동위원소 질량
- 504.16903493
개요
Melezitose is a trisaccharide produced by insects such as aphids. It has a role as an animal metabolite.
이름 및 식별자
- 우선 이름
- (+)-Melezitose
- IUPAC
- (2R,3R,4S,5S,6R)-2-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- 영어명
- D-(+)-Melezitose
- 분자식
- C18H32O16
- 분자량
- 504.44
이름 및 동의어
Melezitose597-12-6D-Melezitose(+)-MelezitoseT4T25QN29LDTXSID20883458(2R,3R,4S,5S,6R)-2-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triolCHEBI:6731NSC-2080(2R,3R,4S,5S,6R)-2-{[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolalpha-D-Glucopyranoside, O-alpha-D-glucopyranosyl-(1->3)-beta-D-fructofuranosyl(2R,3R,4S,5S,6R)-2-(((2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)oxolan-3-yl)oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
이름 더 보기
furanosylmelizitoseMelecitoseD-MelezMtoseC14861800 MelezitoseD-MELZITOSE extrapureD-(+)-Melezitose, >98%
(2R,3R,4S,5S,6R)-2-((2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxolan-3-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triolRefChem:156333GlyTouCan:G80689JYDTXCID401022988G80689JYO alpha-D-glucopyranosyl-(1,3)-O beta-D-fructofuranosyl-(2,1) alpha-D-glucopyranoside209-894-9D-(+)-Melezitose
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
Melting Point153 °C
Physical DescriptionSolid
Collision Cross Section
203.23 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field]
202.7 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field]
199.2 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
물리화학적 성질
- 녹는점
- 153 °C · 153°C
- 끓는 점
- 513.84 °C · 513.84°C (rough estimate)
- 밀도
- 1.5565 · 1.5565
- 굴절률
- 88.5 ° · 88.5 ° (C=4, H2O)
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 용해도
- Soluble (water), slightly soluble (ethanol)
- 물리적 상태
- Solid
- 산도 계수 (pKa)
- 12.83 · 12.83±0.70(Predicted)
- 색상
- White to off-white
- 수용성
- 31 mg/mL · Water : ≥ 31 mg/mL (61.45 mM)
- Merck
- 5819 · 5819
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% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesNot Classified
안전 데이터
- tsca
- TSCA listed
- HS 번호
- 29400090
화학 및 산업
용도 및 제조
General Manufacturing Information.alpha.-D-Glucopyranoside, O-.alpha.-D-glucopyranosyl-(1.fwdarw.3)-.beta.-D-fructofuranosyl: ACTIVE
응용 분야
용도d-(+)-Melezitose can be used to treat cancer, autoimmune diseases and infectious diseases.
공급사66 곳
国药集团化学试剂有限公司86-21-63210123 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
深圳健远生物科技有限公司13278899432 13278899432 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]
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