a-D-Galactose pentaacetate - ≥95% , CAS No.4163-59-1

CAS: 4163-59-1 Cat. No.: A589074 분자식: C₁₆H₂₂O₁₁ 분자량: 390.34

GRADE & PURITY ≥95%

Synonyms

OMS 2015 | A825611 | SCHEMBL635305 | 1,2,3,4,6-penta-O-acetyl-alpha-D-galactose | C16H22O11 | a-D-Galactopyranose,1,2,3,4,6-pentaacetate | 1,2,3,4,6-penta-O-acetyl-alpha-D-galactopyranose | E76647 | pentaacetyl-alpha-D-galactose | SCHEMBL1171474 | 1,2,3,4

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

동의어

OMS 2015 | A825611 | SCHEMBL635305 | 1,2,3,4,6-penta-O-acetyl-alpha-D-galactose | C16H22O11 | a-D-Galactopyranose,1,2,3,4,6-pentaacetate | 1,2,3,4,6-penta-O-acetyl-alpha-D-galactopyranose | E76647 | pentaacetyl-alpha-D-galactose | SCHEMBL1171474 | 1,2,3,4

사양 및 순도

≥95%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

순수함

≥95%

이름과 식별자

Pubchem Sid

504764146

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504764146

정식 스마일

CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

IUPAC Name

[(2R,3S,4S,5R,6R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate

InChIKey

LPTITAGPBXDDGR-CWVYHPPDSA-N

INCHI

1S/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12-,13+,14+,15-,16+/m1/s1

이성체 SMILES

CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

분자량

390.34

Reaxy-Rn

21510288

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21510288&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Carboxylic acids and derivatives
      • Subclass Pentacarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboxylic acids and derivatives
• Subclass: Pentacarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pentacarboxylic acids and derivatives
• Alternative Parents: Oxanes Monosaccharides Carboxylic acid esters Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pentacarboxylic acid or derivatives - Oxane - Monosaccharide - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as pentacarboxylic acids and derivatives. These are carboxylic acids containing exactly five carboxyl groups.
• External Descriptors: O-acyl carbohydrate

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

• 용해성: Soluble in methanol at approximately 50mg/ml
• 분자량: 390.340 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 11
• Exact Mass: 390.116 Da
• Monoisotopic Mass: 390.116 Da
• Topological Polar Surface Area: 141.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 599.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• 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