ChemSpider 2D Image | Methyl (2S)-2-hydroxy-2-[(1R,2R,10R,11S,14S,17S,18R,20S,21S,22R)-1,14,18-trihydroxy-10,17,20-trimethyl-9,15,24-trioxo-16,23-dioxahexacyclo[19.2.1.0~2,11~.0~5,10~.0~14,22~.0~17,22~]tetracos-4-en-20-yl] propanoate | C29H38O11

Methyl (2S)-2-hydroxy-2-[(1R,2R,10R,11S,14S,17S,18R,20S,21S,22R)-1,14,18-trihydroxy-10,17,20-trimethyl-9,15,24-trioxo-16,23-dioxahexacyclo[19.2.1.02,11.05,10.014,22.017,22]tetracos-4-en-20-yl] propanoate

  • Molecular FormulaC29H38O11
  • Average mass562.605 Da
  • Monoisotopic mass562.241394 Da
  • ChemSpider ID9299712

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2S)-2-Hydroxy-2-[(1R,2R,10R,11S,14S,17S,18R,20S,21S,22R)-1,14,18-trihydroxy-10,17,20-triméthyl-9,15,24-trioxo-16,23-dioxahexacyclo[19.2.1.02,11.05,10.014,22.017,22]tétracos-4-én-20-yl]propano ate de méthyle [French] [ACD/IUPAC Name]
1H-7,15b-Epoxynaphtho[2',1':6,7]cyclonona[1,2,3-cd]benzofuran-5-acetic acid, 2a,3,4,5,5a,6,7,7a,8,10,11,12,13,13a,13b,14,15,15a-octadecahydro-α,3,7,15a-tetrahydroxy-α,2a,5,13a-tetramethyl-1,6, 13-trioxo-, methyl ester, (αS,2aS,3R,5S,5aS,7R,7aR,13aR,13bS,15aS,15bR)- [ACD/Index Name]
Methyl (2S)-2-hydroxy-2-[(1R,2R,10R,11S,14S,17S,18R,20S,21S,22R)-1,14,18-trihydroxy-10,17,20-trimethyl-9,15,24-trioxo-16,23-dioxahexacyclo[19.2.1.02,11.05,10.014,22.017,22]tetracos-4-en-20-yl] propanoate [ACD/IUPAC Name]
Methyl-(2S)-2-hydroxy-2-[(1R,2R,10R,11S,14S,17S,18R,20S,21S,22R)-1,14,18-trihydroxy-10,17,20-trimethyl-9,15,24-trioxo-16,23-dioxahexacyclo[19.2.1.02,11.05,10.014,22.017,22]tetracos-4-en-20-yl] propanoat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 780.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 129.4±6.0 kJ/mol
Flash Point: 255.8±26.4 °C
Index of Refraction: 1.626
Molar Refractivity: 135.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 2.40
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 7.79
ACD/KOC (pH 5.5): 151.30
ACD/LogD (pH 7.4): 1.48
ACD/BCF (pH 7.4): 7.77
ACD/KOC (pH 7.4): 150.87
Polar Surface Area: 177 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 71.6±5.0 dyne/cm
Molar Volume: 383.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement