Gonyautoxin v - 20 μg/mL in aqueous 17μM acetic acid(pH5) , CAS No.64296-25-9

CAS: 64296-25-9 Cat. No.: G299674 Molecular Weight: 379.35 EC Number: 633-194-6

GRADE & PURITY 20 μg/mL in aqueous 17μM acetic acid(pH5)

Synonyms

Gonyautoxin V|Gonyautoxin 5|64296-25-9|3833H3TURF|Gonyautoxin-V|gonyautoxin-5|Carbamic acid, sulfo-, C-(((3aS,4R,10aS)-2,6-diamino-3a,4,9,10-tetrahydro-10,10-dihydroxy-1H,8H-pyrrolo(1,2-c)purin-4-yl)methyl) ester|({[(3as,4r,10as)-2,6-diamino-10,10-dihydro

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

Gonyautoxin V | Gonyautoxin 5 | 64296-25-9 | 3833H3TURF | Gonyautoxin-V | gonyautoxin-5 | Carbamic acid, sulfo-, C-(((3aS, 4R, 10aS)-2, 6-diamino-3a, 4, 9, 10-tetrahydro-10, 10-dihydroxy-1H, 8H-pyrrolo(1, 2-c)purin-4-yl)methyl) ester | ({[(3as, 4r, 10as)-2, 6-diamino-10, 10-dihydro

Specifications & Purity

20 μg/mL in aqueous 17μM acetic acid(pH5)

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: C1CN2C(=NC(C3C2(C1(O)O)NC(=N3)N)COC(=O)NS(=O)(=O)O)N
• IUPAC Name: [(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methoxycarbonylsulfamic acid
• InChIKey: JKKCSFJSULZNDN-HGRQIUPRSA-N
• INCHI: 1S/C10H17N7O7S/c11-6-14-5-4(3-24-8(18)16-25(21,22)23)13-7(12)17-2-1-9(19,20)10(5,17)15-6/h4-5,19-20H,1-3H2,(H2,12,13)(H,16,18)(H3,11,14,15)(H,21,22,23)/t4-,5-,10-/m0/s1
• Isomeric SMILES: C1CN2C(=N[C@H]([C@H]3[C@]2(C1(O)O)NC(=N3)N)COC(=O)NS(=O)(=O)O)N
• Molecular Weight: 379.35
• Reaxy-Rn: 10602940
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10602940&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Saxitoxins, gonyautoxins, and derivatives

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Saxitoxins, gonyautoxins, and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Saxitoxins, gonyautoxins, and derivatives
• Alternative Parents: Alkaloids and derivatives Imidazopyrimidines Hydropyrimidines Pyrrolidines Imidazolines Organic sulfuric acids and derivatives Guanidines Organic carbonic acids and derivatives Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carboximidamides Carbonyl hydrates Organopnictogen compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Saxitoxin-gonyautoxin skeleton - Imidazopyrimidine - Alkaloid or derivatives - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - 2-imidazoline - Organic sulfuric acid or derivatives - Pyrrolidine - Guanidine - Carbonic acid derivative - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carbonyl hydrate - Carboximidamide - Hydrocarbon derivative - Organopnictogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as saxitoxins, gonyautoxins, and derivatives. These are compounds with a structure based on a 2,6-diamino-4-methyl-pyrrolo[1,2-c]purin-10-ol skeleton.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Molecular Weight: 379.350 g/mol
• XLogP3: -5.100
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 379.091 Da
• Monoisotopic Mass: 379.091 Da
• Topological Polar Surface Area: 234.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 760.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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