ChemSpider 2D Image | (1R,4R,7S,11E,15R,19R,20R,21S,22S,24R)-7,20,21,22,24-Pentahydroxy-11,15-dimethyl-3,5,9,18,23-pentaoxatricyclo[17.3.1.1~4,7~]tetracos-11-en-10-one (non-preferred name) | C21H34O11

(1R,4R,7S,11E,15R,19R,20R,21S,22S,24R)-7,20,21,22,24-Pentahydroxy-11,15-dimethyl-3,5,9,18,23-pentaoxatricyclo[17.3.1.14,7]tetracos-11-en-10-one (non-preferred name)

  • Molecular FormulaC21H34O11
  • Average mass462.488 Da
  • Monoisotopic mass462.210114 Da
  • ChemSpider ID76799509

  • 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,4R,7S,11E,15R,19R,20R,21S,22S,24R)-7,20,21,22,24-Pentahydroxy-11,15-dimethyl-3,5,9,18,23-pentaoxatricyclo[17.3.1.14,7]tetracos-11-en-10-on (non-preferred name) [German] [ACD/IUPAC Name]
(1R,4R,7S,11E,15R,19R,20R,21S,22S,24R)-7,20,21,22,24-Pentahydroxy-11,15-dimethyl-3,5,9,18,23-pentaoxatricyclo[17.3.1.14,7]tetracos-11-en-10-one (non-preferred name) [ACD/IUPAC Name]
(1R,4R,7S,11E,15R,19R,20R,21S,22S,24R)-7,20,21,22,24-Pentahydroxy-11,15-diméthyl-3,5,9,18,23-pentaoxatricyclo[17.3.1.14,7]tétracos-11-én-10-one (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 727.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.2±6.0 kJ/mol
Flash Point: 249.5±26.4 °C
Index of Refraction: 1.533
Molar Refractivity: 108.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 2.39
ACD/KOC (pH 5.5): 65.00
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 2.39
ACD/KOC (pH 7.4): 65.00
Polar Surface Area: 164 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 350.5±3.0 cm3

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