Aranciamycin A
Grundinformationen
- CAS
960622-70-2- Standard-SMILES
CO[C@H]1[C@H](O[C@H]2C[C@](C)(O)Cc3cc4c(c(O)c32)C(=O)c2c(O)cccc2C4=O)O[C@@H](C)[C@H](O)[C@H]1O- InChIKey
DEPMSUJGYKZLRC-ZCUANGBISA-N- Summenformel
- C26H28O10
- Durchschnittliche Molmasse
- 500,5 g/mol
Überblick
(8R,10S)-10-[(6-deoxy-2-O-methyl-alpha-L-mannopyranosyl)oxy]-7,8,9,10-tetrahydro-1,8,11-trihydroxy-8-methyl-5,12-naphthacenedione has been reported in Streptomyces with data available.
Namen und Bezeichner
- Bevorzugter Name
- Aranciamycin A
- IUPAC
- (7S,9R)-7-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy-4,6,9-trihydroxy-9-methyl-8,10-dihydro-7H-tetracene-5,12-dione
- Englischer Name
- 5,12-Naphthacenedione, 10-[(6-deoxy-2-O-methyl-α-L-mannopyranosyl)oxy]-7,8,9,10-tetrahydro-1,8,11-trihydroxy-8-methyl-, (8R,10S)-
- Summenformel
- C26H28O10
- Molmasse
- 500.5
Namen und Synonyme
Aranciamycin A960622-70-2(8R,10S)-10-[(6-deoxy-2-O-methyl-alpha-L-mannopyranosyl)oxy]-7,8,9,10-tetrahydro-1,8,11-trihydroxy-8-methyl-5,12-naphthacenedione(7S,9R)-7-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy-4,6,9-trihydroxy-9-methyl-8,10-dihydro-7H-tetracene-5,12-dioneorb3141532CHEMBL3577668HY-N12258TN11121CS-0896783(7S,9R)-7-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-3-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-4,6,9-trihydroxy-9-methyl-8,10-dihydro-7H-tetracene-5,12-dione(8R,10S)-10-[(6-deoxy-2-O-methyl-α-L-mannopyranosyl)oxy]-7,8,9,10-tetrahydro-1,8,11-trihydroxy-8-methyl-5,12-naphthacenedione5,12-Naphthacenedione, 10-[(6-deoxy-2-O-methyl-α-L-mannopyranosyl)oxy]-7,8,9,10-tetrahydro-1,8,11-trihydroxy-8-methyl-, (8R,10S)-
Datenbank-Bezeichner
- CAS
960622-70-2- ChEMBL
CHEMBL3577668
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,3
- Polarare Oberfläche (TPSA)
- 163 Ų
- H-Brücken-Donoren
- 5
- H-Brücken-Akzeptoren
- 10
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 36
- Formalladung
- 0
- Komplexität
- 866
Physikochemische Eigenschaften
- Siedepunkt
- 707.3 · 707.3±60.0 °C(Predicted)
- Dichte
- 1.55 · 1.55±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- Löslichkeit
- DMSO: soluble; Methanol: soluble
- Aggregatzustand
- A solid
- pka
- 6.62 · 6.62±0.60(Predicted)
Zugehörige Reaktionen
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