ChemSpider 2D Image | (1S,2R,4R,5R,9S,10R,13R,14R,15R,19S,20S)-13-Ethyl-4,14-dihydroxy-2,4,7,7,10,14,17,17,19,20-decamethyl-6,8,12,16,18-pentaoxatricyclo[13.3.1.1~5,9~]icosan-11-one (non-preferred name) | C27H48O8

(1S,2R,4R,5R,9S,10R,13R,14R,15R,19S,20S)-13-Ethyl-4,14-dihydroxy-2,4,7,7,10,14,17,17,19,20-decamethyl-6,8,12,16,18-pentaoxatricyclo[13.3.1.15,9]icosan-11-one (non-preferred name)

  • Molecular FormulaC27H48O8
  • Average mass500.665 Da
  • Monoisotopic mass500.334930 Da
  • ChemSpider ID74094089

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1S,2R,4R,5R,9S,10R,13R,14R,15R,19S,20S)-13-Ethyl-4,14-dihydroxy-2,4,7,7,10,14,17,17,19,20-decamethyl-6,8,12,16,18-pentaoxatricyclo[13.3.1.15,9]icosan-11-on (non-preferred name) [German] [ACD/IUPAC Name]
(1S,2R,4R,5R,9S,10R,13R,14R,15R,19S,20S)-13-Ethyl-4,14-dihydroxy-2,4,7,7,10,14,17,17,19,20-decamethyl-6,8,12,16,18-pentaoxatricyclo[13.3.1.15,9]icosan-11-one (non-preferred name) [ACD/IUPAC Name]
(1S,2R,4R,5R,9S,10R,13R,14R,15R,19S,20S)-13-Éthyl-4,14-dihydroxy-2,4,7,7,10,14,17,17,19,20-décaméthyl-6,8,12,16,18-pentaoxatricyclo[13.3.1.15,9]icosan-11-one (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 602.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.8±6.0 kJ/mol
Flash Point: 188.4±25.0 °C
Index of Refraction: 1.450
Molar Refractivity: 132.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 919.97
ACD/KOC (pH 5.5): 4603.31
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 919.97
ACD/KOC (pH 7.4): 4603.29
Polar Surface Area: 104 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 27.5±3.0 dyne/cm
Molar Volume: 493.7±3.0 cm3

Click to predict properties on the Chemicalize site


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