ChemSpider 2D Image | (3aR,4S,6aR,8S,9S,9aR,9bS)-9-(Chloromethyl)-8,9-dihydroxy-3,6-bis(methylene)-2-oxododecahydroazuleno[4,5-b]furan-4-yl methacrylate | C19H23ClO6

(3aR,4S,6aR,8S,9S,9aR,9bS)-9-(Chloromethyl)-8,9-dihydroxy-3,6-bis(methylene)-2-oxododecahydroazuleno[4,5-b]furan-4-yl methacrylate

  • Molecular FormulaC19H23ClO6
  • Average mass382.835 Da
  • Monoisotopic mass382.118317 Da
  • ChemSpider ID88297879

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3aR,4S,6aR,8S,9S,9aR,9bS)-9-(Chlormethyl)-8,9-dihydroxy-3,6-dimethylen-2-oxododecahydroazuleno[4,5-b]furan-4-ylmethacrylat [German] [ACD/IUPAC Name]
(3aR,4S,6aR,8S,9S,9aR,9bS)-9-(Chloromethyl)-8,9-dihydroxy-3,6-bis(methylene)-2-oxododecahydroazuleno[4,5-b]furan-4-yl methacrylate [ACD/IUPAC Name]
2-Propenoic acid, 2-methyl-, (3aR,4S,6aR,8S,9S,9aR,9bS)-9-(chloromethyl)dodecahydro-8,9-dihydroxy-3,6-bis(methylene)-2-oxoazuleno[4,5-b]furan-4-yl ester [ACD/Index Name]
Méthacrylate de (3aR,4S,6aR,8S,9S,9aR,9bS)-9-(chlorométhyl)-8,9-dihydroxy-3,6-diméthylène-2-oxododécahydroazuléno[4,5-b]furan-4-yle [French] [ACD/IUPAC Name]
62462-98-0 [RN]
Linichlorin A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 552.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.7±6.0 kJ/mol
Flash Point: 287.8±30.1 °C
Index of Refraction: 1.570
Molar Refractivity: 94.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.61
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 11.11
ACD/KOC (pH 5.5): 195.01
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 11.11
ACD/KOC (pH 7.4): 195.01
Polar Surface Area: 93 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 51.3±5.0 dyne/cm
Molar Volume: 286.5±5.0 cm3

Click to predict properties on the Chemicalize site


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