Kendomycin from Streptomyces violaceoruber - solid , CAS No.183202-73-5

CAS: 183202-73-5 Cat. No.: K477158 Fórmula: C₂₉H₄₂O₆ Peso molecular: 486.64 PubChem CID: 5472093

GRADE & PURITY solid

Synonyms

Q262602 | AKOS040748665 | Kendomycin from Streptomyces violaceoruber | TAN 2162 | CHEBI:191052 | (1R,9S,10S,12S,14E,16S,19R,20R,21S,22R)-3,9,21-trihydroxy-5,10,12,14,16,20,22-heptamethyl-23,24-dioxatetracyclo[17.3.1.16,9.02,7]tetracosa-2,5,7,14-tetraen-4-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Description

Chemical structure: peptide

Specifications

Sinónimos

Q262602 | AKOS040748665 | Kendomycin from Streptomyces violaceoruber | TAN 2162 | CHEBI:191052 | (1R,9S,10S,12S,14E,16S,19R,20R,21S,22R)-3,9,21-trihydroxy-5,10,12,14,16,20,22-heptamethyl-23,24-dioxatetracyclo[17.3.1.16,9.02,7]tetracosa-2,5,7,14-tetraen-4-

Especificações e pureza

solid

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Propriedades do produto

• pKa: pKa: 8.53 (Predicted)

Nomes e identificadores

• Sorrisos canónicos: CC1CCC2C(C(C(C(O2)C3=C(C(=O)C(=C4C3=CC(O4)(C(CC(CC(=C1)C)C)C)O)C)O)C)O)C
• IUPAC Name: (1R,9S,10S,12S,14E,16S,19R,20R,21S,22R)-3,9,21-trihydroxy-5,10,12,14,16,20,22-heptamethyl-23,24-dioxatetracyclo[17.3.1.16,9.02,7]tetracosa-2,5,7,14-tetraen-4-one
• InChIKey: HKLDUJXJTQJSEJ-OLXNOMCWSA-N
• INCHI: 1S/C29H42O6/c1-14-8-9-22-18(5)24(30)19(6)28(34-22)23-21-13-29(33,17(4)12-16(3)11-15(2)10-14)35-27(21)20(7)25(31)26(23)32/h10,13-14,16-19,22,24,28,30,32-33H,8-9,11-12H2,1-7H3/b15-10+/t14-,16+,17-,18-,19+,22+,24-,28+,29+/m0/s1
• SMILES isoméricas: C[C@H]\1CC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C3=C(C(=O)C(=C4C3=C[C@@](O4)([C@H](C[C@@H](C/C(=C1)/C)C)C)O)C)O)C)O)C
• PubChem CID: 5472093
• Peso molecular: 486.64

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzofurans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzofurans
• Alternative Parents: Oxanes Vinylogous esters Dihydrofurans Secondary alcohols Hemiacetals Cyclic ketones Polyols Oxacyclic compounds Enols Dialkyl ethers Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Benzofuran - Oxane - Dihydrofuran - Vinylogous ester - Hemiacetal - Ketone - Secondary alcohol - Cyclic ketone - Ether - Enol - Dialkyl ether - Polyol - Oxacycle - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Alcohol - Organic oxide - Carbonyl group - Organic oxygen compound - Aliphatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom.
• 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

Propriedades químicas e físicas

• Índice de refração: n20D1.58 (Predicted)
• Ponto de ebulição (°C): 678.49° C at 760 mmHg (Predicted)
• Ponto de fusão (°C): 270.93° C (Predicted)
• Peso molecular: 486.600 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 486.298 Da
• Monoisotopic Mass: 486.298 Da
• Topological Polar Surface Area: 96.200 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 1000.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 9
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1