Avilamycin-A
Grundinformationen
- CAS
69787-79-7- Standard-SMILES
COCC1OC(OC2OCC3OC4(OC3C2OC(=O)C(C)C)OC(C)C(O)(C(C)=O)C2OCOC24)C(OC)C(O)C1OC1OC(C)C(OC)C(OC2CC3(C)OC4(CC(O)C(OC5CC(O)C(OC(=O)c6c(C)c(Cl)c(O)c(Cl)c6OC)C(C)O5)C(C)O4)OC3C(C)O2)C1O- InChIKey
XIRGHRXBGGPPKY-UHFFFAOYSA-N- Summenformel
- C61H88Cl2O32
- Durchschnittliche Molmasse
- 1.404,2 g/mol
- Monoisotopische Masse
- 1.402,463576
Namen und Bezeichner
- Bevorzugter Name
- Avilamycin-A
- IUPAC
- [6-[6-[2-[6-[7'-acetyl-7'-hydroxy-6'-methyl-7-(2-methylpropanoyloxy)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,4'-6,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6-yl]oxy-4-hydroxy-5-methoxy-2-(methoxymethyl)oxan-3-yl]oxy-3-hydroxy-5-methoxy-6-methyloxan-4-yl]oxy-4'-hydroxy-2',4,7a-trimethylspiro[3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,6'-oxane]-3'-yl]oxy-4-hydroxy-2-methyloxan-3-yl] 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate
- Englischer Name
- avilamycin A
- Summenformel
- C61H88Cl2O32
- Molmasse
- 1404.24
Namen und Synonyme
C61H88Cl2O32AVILAMYCIN-AAKOS040756023FA74919A-23575avilamycin A23-DeoxyflambamycinFlambamycin, 23-deoxy-β-D-Mannopyranoside, O-(1R)-4-C-acetyl-6-deoxy-2,3-O-methylene-D-galactopyranosylidene-(1→3-4)-2-O-(2-methyl-1-oxopropyl)-α-L-lyxopyranosyl O-2,6-dideoxy-4-O-(3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoyl)-β-D-arabino-hexopyranosyl-(1→4)-O-2,6-dideoxy-D-arabino-hexopyranosylidene-(1→3-4)-O-2,6-di...D-Mannopyranoside, 4-C-acetyl-6-deoxy-2,3-o-methylenehexopyranosylidene-(1-3-4)-2-o-(2-methyl-1-oxopropyl)-L-lyxopyranosyl o-2,6-dideoxy-4-o-(3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoyl)-beta-D-arabino-hexopyranosyl-(1-4)-o-2,6-dideoxy-D-ribo-hexopyranosylidene-(1-3-4)-o-2,6-dideoxy-3-C-methyl-D-arabino-hexopyranosyl-(1-3)-o-6-deoxy-4-o-methyl-beta-D-galactopyranosyl-(1-4)-2,6-di-o-methyl-β-D-Mannopyranoside, O-(1R)-4-C-acetyl-6-deoxy-2,3-O-methylene-D-galactopyranosylidene-(1→3-4)-2-O-(2-methyl-1-oxopropyl)-α-L-lyxopyranosyl O-2,6-dideoxy-4-O-(3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoyl)-β-D-arabino-hexopyranosyl-(1→4)-O-2,6-dideoxy-D-arabino-hexopyranosylidene-(1→3-4)-O-2,6-dideoxy-3-C-methyl-β-D-arabino-hexopyranosyl-(1→3)-O-6-deoxy-4-O-methyl-β-D-galactopyranosyl-(1→4)-2,6-di-O-methyl-
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,6
- Polarare Oberfläche (TPSA)
- 385 Ų
- H-Brücken-Donoren
- 6
- H-Brücken-Akzeptoren
- 32
- Frei drehbare Bindungen
- 20
- Schwere Atome
- 95
- Formalladung
- 0
- Komplexität
- 2.660
Physikochemische Eigenschaften
- Dichte
- 1.5 · 1.50±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)
- storage temp.
- -20 °C · Store at -20°C
- Löslichkeit
- Acetone: slightly soluble; Methanol: slightly, heated
- Aggregatzustand
- A solid
- pka
- 4.94 · 4.94±0.35(predicted)
Chemie und Industrie
Ergänzende Hinweise
DefinitionChEBI: An oligosaccharide derivative that is produced by Streptomyces viridochromogenes and exhibits antibiotic properties.
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