ChemSpider 2D Image | Laulimalide | C30H42O7

Laulimalide

  • Molecular FormulaC30H42O7
  • Average mass514.650 Da
  • Monoisotopic mass514.293030 Da
  • ChemSpider ID103881732

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1R,3S,7S,8S,10S,12S,15E,18R)-7-Hydroxy-12-{(1S,2E)-1-hydroxy-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-2-propen-1-yl}-3-methyl-5-methylen-9,13,22-trioxatricyclo[16.3.1.08,10]docosa-15,19-dien-14- on [German] [ACD/IUPAC Name]
(1R,3S,7S,8S,10S,12S,15E,18R)-7-Hydroxy-12-{(1S,2E)-1-hydroxy-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-2-propen-1-yl}-3-methyl-5-methylene-9,13,22-trioxatricyclo[16.3.1.08,10]docosa-15,19-dien-14 -one [ACD/IUPAC Name]
(1R,3S,7S,8S,10S,12S,15E,18R)-7-Hydroxy-12-{(1S,2E)-1-hydroxy-3-[(2S)-4-méthyl-3,6-dihydro-2H-pyran-2-yl]-2-propén-1-yl}-3-méthyl-5-méthylène-9,13,22-trioxatricyclo[16.3.1.08,10]docosa-15,19-dién-14 -one [French] [ACD/IUPAC Name]
115268-43-4 [RN]
Laulimalide
(1R,3S,7S,8S,10S,12S,15E,18R)-7-hydroxy-12-[(E,1S)-1-hydroxy-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]prop-2-enyl]-3-methyl-5-methylidene-9,13,22-trioxatricyclo[16.3.1.08,10]docosa-15,19-dien-14-one
(1R,3S,7S,8S,10S,12S,15Z,18R)-7-hydroxy-12-[(E,1S)-1-hydroxy-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]prop-2-enyl]-3-methyl-5-methylidene-9,13,22-trioxatricyclo[16.3.1.08,10]docosa-15,19-dien-14-one

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 710.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.7±6.0 kJ/mol
Flash Point: 229.0±26.4 °C
Index of Refraction: 1.568
Molar Refractivity: 141.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 3.77
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 360.04
ACD/KOC (pH 5.5): 2352.03
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 360.04
ACD/KOC (pH 7.4): 2352.02
Polar Surface Area: 98 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 433.3±5.0 cm3

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