Lasalocid E
Grundinformationen
- CAS
55051-80-4- Standard-SMILES
CC[C@H]1C[C@@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)O[C@@H]1[C@@H](CC)C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)O- InChIKey
RXCDHVAYLRJHOW-JXAGNTGFSA-N- Summenformel
- C35H56O8
- Durchschnittliche Molmasse
- 604,8 g/mol
- Monoisotopische Masse
- 604,39751874
Überblick
Lasalocid E is a diterpene glycoside.
Namen und Bezeichner
- Bevorzugter Name
- Lasalocid E
- IUPAC
- 6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-3,5-diethyl-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]oxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid
- Englischer Name
- 6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-3,5-Diethyl-5-[(2R,5R)-tetrahydro-5-ethyl-5-hydroxy-6α-methyl-2H-pyran-2-yl]tetrahydrofuran-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid
- Summenformel
- C35H56O8
- Molmasse
- 604.82
Namen und Synonyme
Lasalocid E6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-3,5-diethyl-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]oxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid6-((3R,4S,5S,7R)-7-((2S,3S,5S)-3,5-Diethyl-5-((2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl)oxolan-2-yl)-4-hydroxy-3,5-dimethyl-6-oxononyl)-2-hydroxy-3-methylbenzoate6-((3R,4S,5S,7R)-7-((2S,3S,5S)-3,5-diethyl-5-((2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl)oxolan-2-yl)-4-hydroxy-3,5-dimethyl-6-oxononyl)-2-hydroxy-3-methylbenzoic acid6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-3,5-Diethyl-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]oxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoateRefChem:15239555051-80-4SCHEMBL29884724CHEBI:2240156-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-3,5-Diethyl-5-[(2R,5R)-tetrahydro-5-ethyl-5-hydroxy-6α-methyl-2H-pyran-2-yl]tetrahydrofuran-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acidBenzoic acid, 6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-3,5-diethyl-5-[(2R,5R,6S)-5-ethyltetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl]tetrahydro-2-furanyl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methyl-
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 6,8
- Polarare Oberfläche (TPSA)
- 134 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 14
- Schwere Atome
- 43
- Formalladung
- 0
- Komplexität
- 926
Physikochemische Eigenschaften
- Siedepunkt
- 744.017 · 744.017±60.00 °C(Press: 760.00 Torr)(predicted)
- Dichte
- 1.109 · 1.109±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.152 · 3.152±0.39(predicted)
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