Amygdalin - BioReagent, ≥97%(HPLC) , CAS No.29883-15-6

CAS: 29883-15-6 Cat. No.: A755605 Formula: C₂₀H₂₇NO₁₁ Peso molecolare: 457.43 Beilstein Registry Number: 66856 Numero EC: 249-925-3 PubChem CID: 656516

QUALITÀ & PUREZZA BioReagent, ≥97%(HPLC)

Storage

Room temperature

Shipped In

Normal

Panoramica

Amygdalin, a cyanide containing glycoside, may be used as a substrate to identify, differentiate and characterize enzymes such as maltase(s), emulsin(s) and β-glucosidase(s).

Specifiche

Specifiche e purezza

BioReagent, ≥97%(HPLC)

Meccanismi biochimici e fisiologici

Cyanogenic glycoside that is a component of bitter almonds and apricot pits. There is no scientific evidence that amygdalin itself is an effective anti-cancer agent. Recent studies using β−glucoside linked to a tumor-associated monoclonal antibody to re

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Grado

BioReagent

Purezza

≥97%(HPLC)

Nomi e identificatori

Pubchem Sid

528775213

Sorrisi canonici

OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(C#N)c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

IUPAC Name

(2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile

InChIKey

XUCIJNAGGSZNQT-JHSLDZJXSA-N

INCHI

1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14+,15-,16-,17+,18+,19+,20+/m0/s1

Isomeri SMILES

C1=CC=C(C=C1)[C@H](C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O

WGK Germania

3

RTECS

OO8450000

PubChem CID

656516

Peso molecolare

457.43

Beilstein

66856

Reaxy-Rn

1695110

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 Cyanogenic glycosides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: Cyanogenic glycosides
• Alternative Parents: O-glycosyl compounds Disaccharides Oxanes Benzene and substituted derivatives Secondary alcohols Polyols Oxacyclic compounds Nitriles Acetals Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Cyanogenic glycoside - Disaccharide - O-glycosyl compound - Monocyclic benzene moiety - Oxane - Benzenoid - Secondary alcohol - Polyol - Nitrile - Carbonitrile - Acetal - Organoheterocyclic compound - Oxacycle - Primary alcohol - Alcohol - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as cyanogenic glycosides. These are glycosides in which the aglycone moiety contains a cyanide group.
• External Descriptors: cyanogenic glycoside - amygdalin

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

Proprietà chimiche e fisiche

• Solubilità: H 2 O: 0.1 g/mL, clear to very faintly turbid, colorless (hot)
• Rotazione specifica [α]: -40 ° (C=2, H2O)
• Punto di fusione (°C): 223-226°C
• Peso molecolare: 457.400 g/mol
• XLogP3: -2.700
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 7
• Exact Mass: 457.158 Da
• Monoisotopic Mass: 457.158 Da
• Topological Polar Surface Area: 202.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 638.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 11
• 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