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

CAS: 183202-73-5 Cat. No.: K477158 Summenformel: C₂₉H₄₂O₆ Molekulargewicht: 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

Übersicht

Description

Chemical structure: peptide

Specifications

Synonyme

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-

Spezifikationen & Reinheit

solid

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Produkteigenschaften

• pKa: pKa: 8.53 (Predicted)

Namen und Kennungen

• Kanonisches Lächeln: 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
• Isomere SMILES: 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
• Molekulargewicht: 486.64

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Benzofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Brechungsindex: n20D1.58 (Predicted)
• Siedepunkt (°C): 678.49° C at 760 mmHg (Predicted)
• Schmelzpunkt (°C): 270.93° C (Predicted)
• Molekulargewicht: 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