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

CAS: 183202-73-5 Cat. No.: K477158 Formule: C₂₉H₄₂O₆ Poids moléculaire: 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

Vue d’ensemble

Description

Chemical structure: peptide

Specifications

Synonymes

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-

Spécifications et pureté

solid

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Propriétés du produit

pKa

pKa: 8.53 (Predicted)

Noms et identifiants

Sourires canoniques

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

Isomères 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

Poids moléculaire

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
• Description: 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

Propriétés chimiques et physiques

• Indice de réfraction: n20D1.58 (Predicted)
• Point d'ébullition (°C): 678.49° C at 760 mmHg (Predicted)
• Point de fusion (°C): 270.93° C (Predicted)
• Poids moléculaire: 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