ChemSpider 2D Image | Lasalocid A | C34H54O8

Lasalocid A

  • Molecular FormulaC34H54O8
  • Average mass590.788 Da
  • Monoisotopic mass590.381897 Da
  • ChemSpider ID4514598
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Lasalocid A
(1S,9S)-1,5:6,9-Dianhydro-9-[(3R,5S,6S,7R)-9-(2-carboxy-3-hydroxy-4-methylphenyl)-6-hydroxy-5,7-dimethyl-4-oxononan-3-yl]-3,4,7,8-tetradeoxy-6-ethyl-2-C-ethyl-1,8-dimethyl-D-galacto-nonitol
247-400-3 [EINECS]
25999-31-9 [RN]
3514
3-Methyl-6-[7-ethyl-4-hydroxy-3,5-dimethyl-6-oxo-7-[5-ethyl-3-methyl-5-(5-ethyl-5-hydroxy-6-methyl-2-tetrahydropyranyl)-2-tetrahydrofuryl]heptyl]salicylic Acid
6-[(3R,4S,5S,7R)-7-{(2S,3S,5S)-5-Ethyl-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-3-methyltetrahydro-2-furanyl}-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoesäure [German] [ACD/IUPAC Name]
6-[(3R,4S,5S,7R)-7-{(2S,3S,5S)-5-Ethyl-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-3-methyltetrahydro-2-furanyl}-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid [ACD/IUPAC Name]
Acide 6-[(3R,4S,5S,7R)-7-{(2S,3S,5S)-5-éthyl-5-[(2R,5R,6S)-5-éthyl-5-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl]-3-méthyltétrahydro-2-furanyl}-4-hydroxy-3,5-diméthyl-6-oxononyl]-2-hydroxy-3-méthylbenzoï que [French] [ACD/IUPAC Name]
Antibiotic X-537A
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MT 2007 [DBID]
W7V2ZZ2FWB [DBID]
AIDS003766 [DBID]
AIDS-003766 [DBID]
NSC 243048 [DBID]
NSC243046 (SODIUM SALT) [DBID]
NSC243048 [DBID]
Prestwick0_000828 [DBID]
Prestwick1_000828 [DBID]
SPBio_002676 [DBID]
More...

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 735.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.7±3.0 kJ/mol
Flash Point: 224.8±26.4 °C
Index of Refraction: 1.529
Molar Refractivity: 162.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 6.55
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 27.85
ACD/KOC (pH 5.5): 56.67
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 15.61
ACD/KOC (pH 7.4): 31.75
Polar Surface Area: 134 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 527.7±3.0 cm3

Click to predict properties on the Chemicalize site





Feedback Form