ChemSpider 2D Image | AECHL-1 | C29H36O10

AECHL-1

  • Molecular FormulaC29H36O10
  • Average mass544.590 Da
  • Monoisotopic mass544.230835 Da
  • ChemSpider ID32697667

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(1S,4R,5R,7S,8R,19R)-5,17-Diethoxy-4,16-dihydroxy-12,14-dimethyl-6-methylen-9-oxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadeca-11,13,15,17-tetraen-8-yl-2-hydroxy-2-methylbutanoat [German] [ACD/IUPAC Name]
(1S,4R,5R,7S,8R,19R)-5,17-Diethoxy-4,16-dihydroxy-12,14-dimethyl-6-methylene-9-oxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadeca-11,13,15,17-tetraen-8-yl 2-hydroxy-2-methylbutanoate [ACD/IUPAC Name]
1198210-11-5 [RN]
2-Hydroxy-2-méthylbutanoate de (1S,4R,5R,7S,8R,19R)-5,17-diéthoxy-4,16-dihydroxy-12,14-diméthyl-6-méthylène-9-oxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadéca-11,13,15,17-tétraén-8-yle [French] [ACD/IUPAC Name]
50JLJ1Z4KG
AECHL-1
Butanoic acid, 2-hydroxy-2-methyl-, (1R,2R,3aS,4R,11bR,11cS)-2,11-diethoxy-1,3,3a,4,5,11b-hexahydro-1,10-dihydroxy-7,8-dimethyl-3-methylene-5-oxo-2H-1,11c-(epoxymethano)phenanthro[10,1-bc]pyran-4-yl e ster [ACD/Index Name]
UNII:50JLJ1Z4KG
UNII-50JLJ1Z4KG

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

Density: 1.4±0.1 g/cm3
Boiling Point: 733.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.3±3.0 kJ/mol
Flash Point: 239.4±26.4 °C
Index of Refraction: 1.613
Molar Refractivity: 137.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 572.23
ACD/KOC (pH 5.5): 3276.95
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 570.43
ACD/KOC (pH 7.4): 3266.62
Polar Surface Area: 141 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 62.1±5.0 dyne/cm
Molar Volume: 395.2±5.0 cm3

Click to predict properties on the Chemicalize site


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