D-(+)-멜레지토오스 일수화물 - ≥99% , CAS No.10030-67-8

CAS: 10030-67-8 Cat. No.: M106962 분자식: C₁₈H₃₂O₁₆·H₂O 분자량: 504.44 (anhydrous basis) Beilstein Registry Number: 99539 EC 번호: 209-894-9 PubChem CID: 16217716

등급 & 순도 ≥99%

Synonyms

Melicitose|(2R,2'R,3S,3'S,4S,4'S,5R,5'R,6R,6'R)-6,6'-(((2S,3S,4R,5R)-4-Hydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2,3-diyl)bis(oxy))bis(2-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol) hydrate|D-(+)-Melezitose monohydrate|D(+)-Melezitose monohydrate|(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 xhydrate|D-(+)-Melezitose (hydrate)|(2R,2'R,3S,3'S,4S,4'S,5R,5'R,6R,6'R)-6,6'-((2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2,3-diyl)bis(oxy)bis(2-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol) hydrate|Melezitose monohydrate|O-a-D-Glucopyranosyl-(1-3)-b-d-fructofuranosyl-(2-1)-a-D-glucopyranose|D-GLUCOSIDE, O-.ALPHA.-D-GLUCOPYRANOSYL-(1->3)-.BETA.-D-FRUCTOFURANOSYL, HYDRATE (1:1)|alpha-D-Glucopyranoside, O-alpha-D-glucopyranosyl-(1-->3)-beta-D-fructofuranosyl, hydrate (9CI)|(+)-Melezitose (hydrate);D-Melezitose (hydrate)|D-(+)-Melezitosehydrate|Melezitose monohydrate, (+)-|(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;hydrate|J-100203|D-(+)-Melezitose hydrate|D-Glucoside, O-alpha-D-glucopyranosyl-(1-->3)-beta-D-fructofuranosyl, hydrate (1:1)|D-Glucoside, o-alpha-D-glucopyranosyl-(1->3)-beta-D-fructofuranosyl, hydrate (1:1)|D-MELEZITOSE MONOHYDRATE

Storage

20°C에서 보관

Shipped In

아이스 박스 + 아이스 패드

개요

Α-갈락토시다아제의 기질.
D-멜레지토스는 인돌 양성 및 인돌 음성 클렙시엘라균의 임상 분리체 식별을 평가하는 연구에 사용되었습니다. 1 또한 클렙시엘라 옥시토카 균주의 새로운 역학 마커를 조사하는 연구에도 사용되었습니다.

사양

동의어

Melicitose | (2R,2'R,3S,3'S,4S,4'S,5R,5'R,6R,6'R)-6,6'-(((2S,3S,4R,5R)-4-Hydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2,3-diyl)bis(oxy))bis(2-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol) hydrate | D-(+)-Melezitose monohydrate | D(+)-Melezitose monohydrate | (2R,3R,4S,5S,6R)-2-[(2S,3S,4R,5R)-4-Hydroxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4 Show more

사양 및 순도

≥99%

보관 조건

20°C에서 보관

배송

아이스 박스 + 아이스 패드

순수함

≥99%

이름과 식별자

Pubchem Sid

528763969

정식 스마일

C(C1C(C(C(C(O1)OC2C(C(OC2(CO)OC3C(C(C(C(O3)CO)O)O)O)CO)O)O)O)O)O.O

IUPAC Name

(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;hydrate

InChIKey

CFXAVQUXSYFPDE-ZDVKUAOASA-N

INCHI

1S/C18H32O16.H2O/c19-1-5-8(23)11(26)13(28)16(30-5)32-15-10(25)7(3-21)33-18(15,4-22)34-17-14(29)12(27)9(24)6(2-20)31-17;/h5-17,19-29H,1-4H2;1H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15+,16-,17-,18+;/m1./s1

이성체 SMILES

C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H]([C@H](O[C@@]2(CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CO)O)O)O)O)O.O

WGK 독일

3

대체 CAS

597-12-6

PubChem CID

16217716

분자량

504.44 (anhydrous basis)

Beilstein

99539

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Oligosaccharides
• Alternative Parents: O-glycosyl compounds C-glycosyl compounds Ketals Oxanes Oxolanes Secondary alcohols Polyols Oxacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oligosaccharide - C-glycosyl compound - Glycosyl compound - O-glycosyl compound - Ketal - Oxane - Oxolane - Secondary alcohol - Polyol - Acetal - Organoheterocyclic compound - Oxacycle - Hydrocarbon derivative - Organic oxide - Alcohol - Primary alcohol - Aliphatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

관련 대상(인간)

POLH Tchem DNA polymerase eta (21678 Activities)

Discover Target: POLH

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 감도: Moisture sensitive
• 녹는점(°C): 160°C
• 분자량: 522.500 g/mol
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 8
• Exact Mass: 522.18 Da
• Monoisotopic Mass: 522.18 Da
• Topological Polar Surface Area: 270.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 655.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 14
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3