Kibdelin B
Grundinformationen
- CAS
103528-49-0- Standard-SMILES
CNC1C(=O)NC2C(=O)NC(C(=O)NC3C(=O)NC4C(=O)NC(C(=O)NC(C(=O)O)c5cc(O)cc(OC6OC(CO)C(O)C(O)C6O)c5-c5cc4ccc5O)C(O)c4cc(Cl)c(c(Cl)c4)Oc4cc3cc(c4OC3OC(NC(=O)CCCCCCCC(C)C)C(O)C(O)C3CO)Oc3ccc(cc3Cl)C2O)c2cc(cc(O)c2Cl)Oc2cc1ccc2O- InChIKey
ZEWPEKFPIQQXCA-UHFFFAOYSA-N- Summenformel
- C82H86Cl4N8O29
- Durchschnittliche Molmasse
- 1.789,4 g/mol
- Monoisotopische Masse
- 1.786,42548
Überblick
Kibdelin B has been reported in Kibdelosporangium aridum with data available.
Namen und Bezeichner
- Bevorzugter Name
- Kibdelin B
- IUPAC
- 5,15,32,65-tetrachloro-64-[4,5-dihydroxy-3-(hydroxymethyl)-6-(9-methyldecanoylamino)oxan-2-yl]oxy-2,18,26,31,44,49-hexahydroxy-22-(methylamino)-21,35,38,54,56,59-hexaoxo-47-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14,16,23(61),24,26,29(60),30,32,41(57),42,44,46(51),47,49,62,65-henicosaene-52-carboxylic acid
- Englischer Name
- kibdelin B
- Summenformel
- C82H86Cl4N8O29
- Molmasse
- 1789.41
Namen und Synonyme
Kibdelin B103528-49-0RefChem:1512245,15,32,65-tetrachloro-64-(4,5-dihydroxy-3-(hydroxymethyl)-6-((1-hydroxy-9-methyldecylidene)amino)oxan-2-yl)oxy-2,18,21,26,31,35,38,44,49,54,56,59-dodecahydroxy-22-(methylamino)-47-(3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo(38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51)hexahexaconta-3,5,8,10,12(64),14,16,20,23(61),24,26,29(60),30,32,35,38,41(57),42,44,46(51),47,49,53,55,58,62,65-heptacosaene-52-carboxylic acid5,15,32,65-tetrachloro-64-(4,5-dihydroxy-3-(hydroxymethyl)-6-(9-methyldecanoylamino)oxan-2-yl)oxy-2,18,26,31,44,49-hexahydroxy-22-(methylamino)-21,35,38,54,56,59-hexaoxo-47-(3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo(38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51)hexahexaconta-3,5,8,10,12(64),14,16,23(61),24,26,29(60),30,32,41(57),42,44,46(51),47,49,62,65-henicosaene-52-carboxylic acidRistomycin A aglycone, 5,22,31,55-tetrachloro-7-demethyl-64-O-demethyl-56-O-(2-deoxy-2-((9-methyl-1-oxodecyl)amino)-beta-D-glucopyranosyl)-42-O-alpha-D-mannopyranosyl-N15-methyl-Ristomycin A aglycone, 5,22,31,55-tetrachloro-7-demethyl-64-O-demethyl-56-O-[2-deoxy-2-[(9-methyl-1-oxodecyl)amino]-β-D-glucopyranosyl]-42-O-α-D-mannopyranosyl-N15-methyl- (9CI)
Datenbank-Bezeichner
- CAS
103528-49-0- PubChem CID
- 16131401
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,3
- Polarare Oberfläche (TPSA)
- 581 Ų
- H-Brücken-Donoren
- 22
- H-Brücken-Akzeptoren
- 30
- Frei drehbare Bindungen
- 17
- Schwere Atome
- 123
- Formalladung
- 0
- Komplexität
- 3.610
Physikochemische Eigenschaften
- Dichte
- 1.7 · 1.70±0.1 g/cm3(Predicted)
- pka
- 2.89 · 2.89±0.60(Predicted)
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
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