Erlose - ≥97% , CAS No.13101-54-7

CAS: 13101-54-7 Cat. No.: E120956 분자식: C₁₈H₃₂O₁₆ 분자량: 504.44 EC 번호: 878-478-2

GRADE & PURITY ≥97%

Synonyms

UNII-C3UYO172PU | HY-139338 | Sucrosylglucose | alpha-Maltosyl beta-fructofuranoside | SCHEMBL935091 | Erlose | F82969 | (2R,3R,4S,5S,6R)-2-((2R,3S,4R,5R,6R)-6-((2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yloxy)-4,5-dihydroxy-2-(hy

Storage

Argon charged,Room temperature

Shipped In

Normal

개요

Erlose is used in studies on dietary preference and utilization of trisose sugars from aphid honeydew by various insects, such as honey bees and ants.

Specifications

동의어

UNII-C3UYO172PU | HY-139338 | Sucrosylglucose | alpha-Maltosyl beta-fructofuranoside | SCHEMBL935091 | Erlose | F82969 | (2R,3R,4S,5S,6R)-2-((2R,3S,4R,5R,6R)-6-((2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yloxy)-4,5-dihydroxy-2-(hy

사양 및 순도

≥97%

보관 조건

Argon charged,Room temperature

배송

Normal

순수함

≥97%

이름과 식별자

Pubchem Sid

508812926

정식 스마일

C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3(C(C(C(O3)CO)O)O)CO)CO)O)O)O)O

IUPAC Name

(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

InChIKey

FVVCFHXLWDDRHG-KKNDGLDKSA-N

INCHI

1S/C18H32O16/c19-1-5-8(23)10(25)12(27)16(30-5)32-14-7(3-21)31-17(13(28)11(14)26)34-18(4-22)15(29)9(24)6(2-20)33-18/h5-17,19-29H,1-4H2/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](O[C@@H]([C@@H]([C@H]2O)O)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)CO)O)O)O)O

WGK 독일

3

분자량

504.44

Reaxy-Rn

38051212

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=38051212&ln=

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 Tetrahydrofurans Secondary alcohols Polyols Oxacyclic compounds Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oligosaccharide - C-glycosyl compound - Glycosyl compound - O-glycosyl compound - Ketal - Oxane - Tetrahydrofuran - Secondary alcohol - Acetal - Oxacycle - Organoheterocyclic compound - Polyol - Alcohol - Primary alcohol - Hydrocarbon derivative - 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: trisaccharide

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

화학 및 물리적 특성

• 분자량: 504.400 g/mol
• XLogP3: -5.800
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 8
• Exact Mass: 504.169 Da
• Monoisotopic Mass: 504.169 Da
• Topological Polar Surface Area: 269.000 Ų
• Heavy Atom Count: 34
• 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: 1